2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]propanoic acid

C14H17NO3 — CID 119225504

IUPAC2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]propanoic acid
SMILESCc1ccccc1C1CC1C(=O)NC(C)C(=O)O
InChIInChI=1S/C14H17NO3/c1-8-5-3-4-6-10(8)11-7-12(11)13(16)15-9(2)14(17)18/h3-6,9,11-12H,7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyIZGSDCFQMCYZJP-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.69
Rot. Bonds4

About 2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]propanoic acid

2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]propanoic acid (PubChem CID 119225504) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]propanoic acid
PubChem CID119225504
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]propanoic acid
SMILESCc1ccccc1C1CC1C(=O)NC(C)C(=O)O
InChIInChI=1S/C14H17NO3/c1-8-5-3-4-6-10(8)11-7-12(11)13(16)15-9(2)14(17)18/h3-6,9,11-12H,7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyIZGSDCFQMCYZJP-UHFFFAOYSA-N
XLogP1.69
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 119221223
2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119225300
(2S)-2-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid
CID 99849440
2-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119225395
(2S)-2-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119238212
(2S)-2-[[2-(2,3-dichlorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119238549
(2S)-2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid
CID 119360646
N-(1-aminohexan-2-yl)-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119667796
(2R)-2-[[2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]amino]propanoic acid
CID 146264225
(2S)-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid
CID 61131550
N-[2-(methylamino)ethyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119503238
2-cyclopropyl-2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 75483394

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]propanoic acid?
The IUPAC name of 2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]propanoic acid (CID 119225504) is 2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]propanoic acid is Cc1ccccc1C1CC1C(=O)NC(C)C(=O)O.
What is the InChIKey of 2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]propanoic acid?
The InChIKey is IZGSDCFQMCYZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-8-5-3-4-6-10(8)11-7-12(11)13(16)15-9(2)14(17)18/h3-6,9,11-12H,7H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]propanoic acid?
2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]propanoic acid has a molecular weight of 247.29 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]propanoic acid is sourced from PubChem (CID 119225504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).