2-[[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]methyl]butanoic acid

C15H18ClNO3 — CID 65219700

IUPAC2-[[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]methyl]butanoic acid
SMILESCCC(CNC(=O)C1(c2ccc(Cl)cc2)CC1)C(=O)O
InChIInChI=1S/C15H18ClNO3/c1-2-10(13(18)19)9-17-14(20)15(7-8-15)11-3-5-12(16)6-4-11/h3-6,10H,2,7-9H2,1H3,(H,17,20)(H,18,19)
InChIKeyQQFKFRQEWMRFRO-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.60
Rot. Bonds6

About 2-[[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]methyl]butanoic acid

2-[[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]methyl]butanoic acid (PubChem CID 65219700) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-[[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]methyl]butanoic acid
PubChem CID65219700
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name2-[[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]methyl]butanoic acid
SMILESCCC(CNC(=O)C1(c2ccc(Cl)cc2)CC1)C(=O)O
InChIInChI=1S/C15H18ClNO3/c1-2-10(13(18)19)9-17-14(20)15(7-8-15)11-3-5-12(16)6-4-11/h3-6,10H,2,7-9H2,1H3,(H,17,20)(H,18,19)
InChIKeyQQFKFRQEWMRFRO-UHFFFAOYSA-N
XLogP2.60
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]pentanoic acid
CID 65218799
2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]pentanoic acid
CID 43630613
4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-3-methoxybutanoic acid
CID 103153093
1-(4-chlorophenyl)-N-(1-hydroxybutan-2-yl)cyclopropane-1-carboxamide
CID 43390346
1-(4-chlorophenyl)-N-ethylcyclohexane-1-carboxamide
CID 118534759
1-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopropane-1-carboxamide
CID 27742660
1-(4-chlorophenyl)-N-(2-ethyl-2-hydroxybutyl)cyclopropane-1-carboxamide
CID 65112164
1-(4-chlorophenyl)-N-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]cyclopentane-1-carboxamide
CID 168737013
1-(4-chlorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclopropane-1-carboxamide
CID 80711321
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 110437937
N-(2-aminoethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119382939
N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119627014

Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]methyl]butanoic acid?
The IUPAC name of 2-[[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]methyl]butanoic acid (CID 65219700) is 2-[[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]methyl]butanoic acid?
The canonical SMILES for 2-[[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]methyl]butanoic acid is CCC(CNC(=O)C1(c2ccc(Cl)cc2)CC1)C(=O)O.
What is the InChIKey of 2-[[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]methyl]butanoic acid?
The InChIKey is QQFKFRQEWMRFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-2-10(13(18)19)9-17-14(20)15(7-8-15)11-3-5-12(16)6-4-11/h3-6,10H,2,7-9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-[[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]methyl]butanoic acid?
2-[[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]methyl]butanoic acid has a molecular weight of 295.77 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]methyl]butanoic acid is sourced from PubChem (CID 65219700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).