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

C8H13NO3 — CID 61131550

IUPAC(2S)-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid
SMILESCC1CC1C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C8H13NO3/c1-4-3-6(4)7(10)9-5(2)8(11)12/h4-6H,3H2,1-2H3,(H,9,10)(H,11,12)/t4?,5-,6?/m0/s1
InChIKeyHBLBSNHRRISQEO-XRVVJQKQSA-N
MW171.20 g/mol
LogP0.23
Rot. Bonds3

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

(2S)-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid (PubChem CID 61131550) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is (2S)-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid
PubChem CID61131550
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name(2S)-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid
SMILESCC1CC1C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C8H13NO3/c1-4-3-6(4)7(10)9-5(2)8(11)12/h4-6H,3H2,1-2H3,(H,9,10)(H,11,12)/t4?,5-,6?/m0/s1
InChIKeyHBLBSNHRRISQEO-XRVVJQKQSA-N
XLogP0.23
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-N-(1-amino-1-oxopropan-2-yl)-2-methylcyclopropane-1-carboxamide
CID 127011730
(2R)-3-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid
CID 80747756
(2S,3R)-3-hydroxy-2-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]butanoic acid
CID 93098157
2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 79388540
trans-(1R,2R)-N-(3-hydroxy-3-methylbutan-2-yl)-2-methylcyclopropane-1-carboxamide
CID 130725617
3-methyl-2-[(2-methylcyclopropanecarbonyl)amino]-3-sulfanylbutanoic acid
CID 16775068
2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119225504
2-(adamantane-2-carbonylamino)propanoic acid
CID 81095759
(2S)-2-[(2-methylcyclopropyl)amino]propanoic acid
CID 146679870
2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid
CID 66477984
methyl 3-methyl-2-[(2-methylcyclopropanecarbonyl)amino]butanoate
CID 43422631
cis-(1R,2S)-N-benzhydryl-2-methylcyclopropane-1-carboxamide
CID 2547181

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid (CID 61131550) is (2S)-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid is CC1CC1C(=O)N[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid?
The InChIKey is HBLBSNHRRISQEO-XRVVJQKQSA-N. The full InChI is InChI=1S/C8H13NO3/c1-4-3-6(4)7(10)9-5(2)8(11)12/h4-6H,3H2,1-2H3,(H,9,10)(H,11,12)/t4?,5-,6?/m0/s1.
What are the key properties of (2S)-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid?
(2S)-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid has a molecular weight of 171.20 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid is sourced from PubChem (CID 61131550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).