(R,S)-2-Isobutyl-3-(boc-amino)propanoic acid - CAS 828254-17-7
Catalog: |
BB060632 |
Product Name: |
(R,S)-2-Isobutyl-3-(boc-amino)propanoic acid |
CAS: |
828254-17-7 |
Synonyms: |
(R,S)-2-Isobutyl-3-(boc-amino)propanoic acid; N-Boc-3-amino-2-isobutyl-propionic acid; 2-({[(tert-butoxy)carbonyl]amino}methyl)-4-methylpentanoic acid; 2-[(Boc-amino)methyl]-4-methyl-pentanoic acid; 2-Isobutyl-3-(Boc-amino)propionic acid; 4-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid; 2-(([(TERT-BUTOXY)CARBONYL]AMINO)METHYL)-4-METHYLPENTANOIC ACID |
IUPAC Name: | 4-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid |
Description: | (R,S)-2-Isobutyl-3-(boc-amino)propanoic acid |
Molecular Weight: | 245.32 |
Molecular Formula: | C12H23NO4 |
Canonical SMILES: | CC(C)CC(CNC(=O)OC(C)(C)C)C(=O)O |
InChI: | InChI=1S/C12H23NO4/c1-8(2)6-9(10(14)15)7-13-11(16)17-12(3,4)5/h8-9H,6-7H2,1-5H3,(H,13,16)(H,14,15) |
InChI Key: | WWKOREWJYZNXDX-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020055860-A1 | Substituted pyrazolo[1,5-a]pyrazine compounds as ret kinase inhibitors | 20170118 |
WO-2018136661-A1 | SUBSTITUTED PYRAZOLO[1,5-a]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS | 20170118 |
EP-3200797-A1 | Quinazoline-based kinase inhibitors | 20140930 |
US-2017239249-A1 | Quinazoline-based kinase inhibitors | 20140930 |
WO-2016053794-A1 | Quinazoline-based kinase inhibitors | 20140930 |
CN-107108552-A | Heterocyclic kinase inhibitors | 20140805 |
EP-3177604-A1 | Heterocyclic kinase inhibitors | 20140805 |
JP-2017523214-A | Heterocyclic kinase inhibitor | 20140805 |
US-10035777-B2 | Heterocyclic kinase inhibitors | 20140805 |
US-2017260145-A1 | Heterocyclic kinase inhibitors | 20140805 |
Complexity: | 268 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.16270821 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.16270821 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 75.6Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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