2-[[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-2-methylbutanoic acid

C15H17Cl2NO3 — CID 119199691

IUPAC2-[[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)C1CC1c1ccc(Cl)c(Cl)c1)C(=O)O
InChIInChI=1S/C15H17Cl2NO3/c1-3-15(2,14(20)21)18-13(19)10-7-9(10)8-4-5-11(16)12(17)6-8/h4-6,9-10H,3,7H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyFMMGBOLFHDFKPT-UHFFFAOYSA-N
MW330.21 g/mol
LogP3.47
Rot. Bonds5

About 2-[[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-2-methylbutanoic acid

2-[[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-2-methylbutanoic acid (PubChem CID 119199691) has the molecular formula C15H17Cl2NO3 and a molecular weight of 330.21 g/mol. Its IUPAC name is 2-[[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-2-methylbutanoic acid
PubChem CID119199691
Molecular FormulaC15H17Cl2NO3
Molecular Weight330.21 g/mol
Exact Mass329.06
IUPAC Name2-[[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)C1CC1c1ccc(Cl)c(Cl)c1)C(=O)O
InChIInChI=1S/C15H17Cl2NO3/c1-3-15(2,14(20)21)18-13(19)10-7-9(10)8-4-5-11(16)12(17)6-8/h4-6,9-10H,3,7H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyFMMGBOLFHDFKPT-UHFFFAOYSA-N
XLogP3.47
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 119522635
N-(2-amino-2-methylpropyl)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119627426
2-(3,4-dichlorophenyl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)cyclopropane-1-carboxamide
CID 110003025
2-(3,4-dichlorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)cyclopropane-1-carboxamide
CID 111480579
trans-(1R,2R)-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-methylpropyl]cyclopropane-1-carboxamide
CID 95244980
1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanone
CID 43150273
4-[[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid
CID 119230221
methyl (2S)-2-[[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate
CID 95242853
methyl 3-[[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate
CID 95245166
2-[(3,4-dichlorophenyl)methylamino]-2-methylbutanoic acid
CID 79791567
cis-(1R,2S)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 95245016
cis-(1S,2R)-2-(3,4-dichlorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 95279473

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-2-methylbutanoic acid?
The IUPAC name of 2-[[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-2-methylbutanoic acid (CID 119199691) is 2-[[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-2-methylbutanoic acid is CCC(C)(NC(=O)C1CC1c1ccc(Cl)c(Cl)c1)C(=O)O.
What is the InChIKey of 2-[[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-2-methylbutanoic acid?
The InChIKey is FMMGBOLFHDFKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO3/c1-3-15(2,14(20)21)18-13(19)10-7-9(10)8-4-5-11(16)12(17)6-8/h4-6,9-10H,3,7H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-[[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-2-methylbutanoic acid?
2-[[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-2-methylbutanoic acid has a molecular weight of 330.21 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-2-methylbutanoic acid is sourced from PubChem (CID 119199691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).