[1-[(Boc-amino)methyl]cyclopropyl]methanol - CAS 153248-46-5
Catalog: |
BB010868 |
Product Name: |
[1-[(Boc-amino)methyl]cyclopropyl]methanol |
CAS: |
153248-46-5 |
Synonyms: |
N-[[1-(hydroxymethyl)cyclopropyl]methyl]carbamic acid tert-butyl ester; tert-butyl N-[[1-(hydroxymethyl)cyclopropyl]methyl]carbamate |
IUPAC Name: | tert-butyl N-[[1-(hydroxymethyl)cyclopropyl]methyl]carbamate |
Description: | [1-[(Boc-amino)methyl]cyclopropyl]methanol (CAS# 153248-46-5) is used as a reactant in the preparation of imidazolylalkylamine compounds for the inhibition of human glutaminyl cyclase. |
Molecular Weight: | 201.26 |
Molecular Formula: | C10H19NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)NCC1(CC1)CO |
InChI: | InChI=1S/C10H19NO3/c1-9(2,3)14-8(13)11-6-10(7-12)4-5-10/h12H,4-7H2,1-3H3,(H,11,13) |
InChI Key: | NQILLQJICWRVRV-UHFFFAOYSA-N |
LogP: | 1.48800 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021163499-A1 | Macrocycles for use in treating disease | 20191203 |
WO-2021113339-A1 | Macrocycles for use in treating disease | 20191203 |
CN-112442029-A | Tetrahydropyrido [3,4-d ] pyrimidine derivative and application thereof in medicine | 20190904 |
EP-3475289-A1 | Macrocyclic inhibitors of myeloperoxidase | 20160628 |
JP-2019519576-A | Macrocycle inhibitors of myeloperoxidase | 20160628 |
Complexity: | 216 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.13649347 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.13649347 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 58.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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