3-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]butanoic acid

C15H19NO3 — CID 119221223

IUPAC3-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]butanoic acid
SMILESCc1ccccc1C1CC1C(=O)NC(C)CC(=O)O
InChIInChI=1S/C15H19NO3/c1-9-5-3-4-6-11(9)12-8-13(12)15(19)16-10(2)7-14(17)18/h3-6,10,12-13H,7-8H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyRDMPESBOSVRXSH-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.08
Rot. Bonds5

About 3-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]butanoic acid

3-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]butanoic acid (PubChem CID 119221223) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]butanoic acid
PubChem CID119221223
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name3-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]butanoic acid
SMILESCc1ccccc1C1CC1C(=O)NC(C)CC(=O)O
InChIInChI=1S/C15H19NO3/c1-9-5-3-4-6-11(9)12-8-13(12)15(19)16-10(2)7-14(17)18/h3-6,10,12-13H,7-8H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyRDMPESBOSVRXSH-UHFFFAOYSA-N
XLogP2.08
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119225504
(3R)-3-[[(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]butanoic acid
CID 124845391
5-[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]pentanoic acid
CID 99849422
3-[[2-(3-bromophenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 119220666
N-(1-aminohexan-2-yl)-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119667796
N-[2-(methylamino)ethyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119503238
cis-(1S,2R)-2-(2-methylphenyl)-N-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]cyclopropane-1-carboxamide
CID 97072754
cis-(1S,2R)-2-(2-methylphenyl)-N-[(1S)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]cyclopropane-1-carboxamide
CID 98799294
N-(4-bromobutan-2-yl)-2-phenylcyclopropane-1-carboxamide
CID 83180682
2-[3-[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid
CID 129380619
2-phenyl-N-(4-phenylbutan-2-yl)cyclopropane-1-carboxamide
CID 4072324
2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119225300

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]butanoic acid?
The IUPAC name of 3-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]butanoic acid (CID 119221223) is 3-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]butanoic acid.
What is the SMILES notation for 3-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]butanoic acid?
The canonical SMILES for 3-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]butanoic acid is Cc1ccccc1C1CC1C(=O)NC(C)CC(=O)O.
What is the InChIKey of 3-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]butanoic acid?
The InChIKey is RDMPESBOSVRXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-9-5-3-4-6-11(9)12-8-13(12)15(19)16-10(2)7-14(17)18/h3-6,10,12-13H,7-8H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 3-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]butanoic acid?
3-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]butanoic acid has a molecular weight of 261.32 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]butanoic acid is sourced from PubChem (CID 119221223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).