2-Cyclopropylalanine - CAS 5687-72-9
Catalog: |
BB029518 |
Product Name: |
2-Cyclopropylalanine |
CAS: |
5687-72-9 |
Synonyms: |
2-amino-2-cyclopropylpropanoic acid |
IUPAC Name: | 2-amino-2-cyclopropylpropanoic acid |
Description: | 2-Cyclopropylalanine (CAS# 5687-72-9) is a useful research chemical. |
Molecular Weight: | 129.16 |
Molecular Formula: | C6H11NO2 |
Canonical SMILES: | CC(C1CC1)(C(=O)O)N |
InChI: | InChI=1S/C6H11NO2/c1-6(7,5(8)9)4-2-3-4/h4H,2-3,7H2,1H3,(H,8,9) |
InChI Key: | VRFYYCFVOBCXDL-UHFFFAOYSA-N |
LogP: | 0.89870 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021094209-A1 | Substituted pyrrolo triazine carboxamide derivatives as prostaglandin ep3 receptor antagonists | 20191112 |
AU-2017341020-A1 | Urea derivative | 20161006 |
AU-2017341020-A2 | Urea derivative | 20161006 |
CA-3039455-A1 | Urea derivative | 20161006 |
CN-109843283-A | Urea derivative | 20161006 |
Complexity: | 142 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 129.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 129.078978594 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 63.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -2.4 |
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