(2S)-2-[(2-methylcyclopropyl)amino]propanoic acid

C7H13NO2 — CID 146679870

IUPAC(2S)-2-[(2-methylcyclopropyl)amino]propanoic acid
SMILESCC1CC1N[C@@H](C)C(=O)O
InChIInChI=1S/C7H13NO2/c1-4-3-6(4)8-5(2)7(9)10/h4-6,8H,3H2,1-2H3,(H,9,10)/t4?,5-,6?/m0/s1
InChIKeyAPSMAUOVRCWKLL-XRVVJQKQSA-N
MW143.19 g/mol
LogP0.46
Rot. Bonds3

About (2S)-2-[(2-methylcyclopropyl)amino]propanoic acid

(2S)-2-[(2-methylcyclopropyl)amino]propanoic acid (PubChem CID 146679870) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (2S)-2-[(2-methylcyclopropyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-methylcyclopropyl)amino]propanoic acid
PubChem CID146679870
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(2S)-2-[(2-methylcyclopropyl)amino]propanoic acid
SMILESCC1CC1N[C@@H](C)C(=O)O
InChIInChI=1S/C7H13NO2/c1-4-3-6(4)8-5(2)7(9)10/h4-6,8H,3H2,1-2H3,(H,9,10)/t4?,5-,6?/m0/s1
InChIKeyAPSMAUOVRCWKLL-XRVVJQKQSA-N
XLogP0.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methylcyclopropyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 62397935
2-[(2,4,4-trimethylcyclohexyl)amino]propanoic acid
CID 81321434
2-[(2-methylcyclopropyl)amino]-N-phenylpropanamide
CID 62397765
(2R)-2-[(2,3-dimethylcyclobutyl)amino]-N-methylpropanamide
CID 131154093
(2S)-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid
CID 61131550
2-[(4-methylcyclohexyl)amino]propanoic acid
CID 23221764
2-(2-adamantylamino)propanoic acid
CID 61499688
2-(cyclopenta-2,4-dien-1-ylamino)propanoic acid
CID 87731809
N-(3-methoxypropyl)-2-[(2-methylcyclopropyl)amino]propanamide
CID 62398122
(2S)-2-(cyclohexylamino)propanoic acid;(2S)-2-(cyclopentylamino)propanoic acid
CID 118008390
2-[(2,5-dimethylcyclohexyl)amino]-3-methylbutanoic acid
CID 64762107
2-[(4-propan-2-ylcyclohexyl)amino]propanoic acid
CID 23221767

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-methylcyclopropyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(2-methylcyclopropyl)amino]propanoic acid (CID 146679870) is (2S)-2-[(2-methylcyclopropyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(2-methylcyclopropyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(2-methylcyclopropyl)amino]propanoic acid is CC1CC1N[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-[(2-methylcyclopropyl)amino]propanoic acid?
The InChIKey is APSMAUOVRCWKLL-XRVVJQKQSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-3-6(4)8-5(2)7(9)10/h4-6,8H,3H2,1-2H3,(H,9,10)/t4?,5-,6?/m0/s1.
What are the key properties of (2S)-2-[(2-methylcyclopropyl)amino]propanoic acid?
(2S)-2-[(2-methylcyclopropyl)amino]propanoic acid has a molecular weight of 143.19 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-methylcyclopropyl)amino]propanoic acid is sourced from PubChem (CID 146679870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).