2-[[2-(3-chlorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid

C16H20ClNO3 — CID 119188628

IUPAC2-[[2-(3-chlorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)C1CC1c1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C16H20ClNO3/c1-9(2)6-14(16(20)21)18-15(19)13-8-12(13)10-4-3-5-11(17)7-10/h3-5,7,9,12-14H,6,8H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyWVHXCKQYXQQVAO-UHFFFAOYSA-N
MW309.79 g/mol
LogP3.06
Rot. Bonds6

About 2-[[2-(3-chlorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid

2-[[2-(3-chlorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid (PubChem CID 119188628) has the molecular formula C16H20ClNO3 and a molecular weight of 309.79 g/mol. Its IUPAC name is 2-[[2-(3-chlorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[2-(3-chlorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid
PubChem CID119188628
Molecular FormulaC16H20ClNO3
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name2-[[2-(3-chlorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)C1CC1c1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C16H20ClNO3/c1-9(2)6-14(16(20)21)18-15(19)13-8-12(13)10-4-3-5-11(17)7-10/h3-5,7,9,12-14H,6,8H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyWVHXCKQYXQQVAO-UHFFFAOYSA-N
XLogP3.06
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[[2-(3-chlorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid with MolForge

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Related Compounds

2-(3-chlorophenyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]cyclopropane-1-carboxamide
CID 49157849
2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid
CID 119188260
(2S)-2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid
CID 119362074
2-[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid
CID 119188244
methyl 4-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]pentanoate
CID 78971251
trans-(1R,2R)-2-(3-chlorophenyl)-N-[(2S,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]cyclopropane-1-carboxamide
CID 124778353
(2S)-2-[[2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120695218
2-(3-chlorophenyl)cyclopropane-1-carboxylic acid
CID 23423018
2-(3-chlorophenyl)-N-[2-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 120829453
(2S)-2-[[2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120694375
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 119598536
2-(3-chlorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide
CID 119501592

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chlorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid?
The IUPAC name of 2-[[2-(3-chlorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid (CID 119188628) is 2-[[2-(3-chlorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[2-(3-chlorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[[2-(3-chlorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid is CC(C)CC(NC(=O)C1CC1c1cccc(Cl)c1)C(=O)O.
What is the InChIKey of 2-[[2-(3-chlorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid?
The InChIKey is WVHXCKQYXQQVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO3/c1-9(2)6-14(16(20)21)18-15(19)13-8-12(13)10-4-3-5-11(17)7-10/h3-5,7,9,12-14H,6,8H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-[[2-(3-chlorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid?
2-[[2-(3-chlorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid has a molecular weight of 309.79 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chlorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 119188628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).