3-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid

C15H18ClNO3 — CID 97324672

IUPAC3-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)[C@H]1C[C@@H]1c1ccccc1Cl)C(=O)O
InChIInChI=1S/C15H18ClNO3/c1-15(2,14(19)20)8-17-13(18)11-7-10(11)9-5-3-4-6-12(9)16/h3-6,10-11H,7-8H2,1-2H3,(H,17,18)(H,19,20)/t10-,11+/m1/s1
InChIKeyMIGFUJSBVCMTEH-MNOVXSKESA-N
MW295.77 g/mol
LogP2.67
Rot. Bonds5

About 3-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid

3-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid (PubChem CID 97324672) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 3-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid
PubChem CID97324672
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name3-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)[C@H]1C[C@@H]1c1ccccc1Cl)C(=O)O
InChIInChI=1S/C15H18ClNO3/c1-15(2,14(19)20)8-17-13(18)11-7-10(11)9-5-3-4-6-12(9)16/h3-6,10-11H,7-8H2,1-2H3,(H,17,18)(H,19,20)/t10-,11+/m1/s1
InChIKeyMIGFUJSBVCMTEH-MNOVXSKESA-N
XLogP2.67
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid with MolForge

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Related Compounds

cis-(1S,2R)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(2,3-dichlorophenyl)cyclopropane-1-carboxamide
CID 95621010
N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 51291733
2-(2-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]cyclopropane-1-carboxamide
CID 78837230
2-(2-chlorophenyl)-N-[2-(N-methylanilino)ethyl]cyclopropane-1-carboxamide
CID 55474575
cis-(1R,2S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 97076000
3-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid
CID 119249836
trans-(1R,2R)-N-(4-amino-4-oxobutyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 95594248
2-(2-chlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 55493076
2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119225300
2-(2-chlorophenyl)-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 51291710
5-[[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110269
(2S)-2-[[2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120694375

Frequently Asked Questions

What is the IUPAC name of 3-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid (CID 97324672) is 3-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid is CC(C)(CNC(=O)[C@H]1C[C@@H]1c1ccccc1Cl)C(=O)O.
What is the InChIKey of 3-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid?
The InChIKey is MIGFUJSBVCMTEH-MNOVXSKESA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-15(2,14(19)20)8-17-13(18)11-7-10(11)9-5-3-4-6-12(9)16/h3-6,10-11H,7-8H2,1-2H3,(H,17,18)(H,19,20)/t10-,11+/m1/s1.
What are the key properties of 3-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid?
3-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid has a molecular weight of 295.77 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 97324672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).