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

C13H14ClNO3 — CID 119193487

IUPAC2-[(4-chlorophenyl)methyl-(cyclopropanecarbonyl)amino]acetic acid
SMILESO=C(O)CN(Cc1ccc(Cl)cc1)C(=O)C1CC1
InChIInChI=1S/C13H14ClNO3/c14-11-5-1-9(2-6-11)7-15(8-12(16)17)13(18)10-3-4-10/h1-2,5-6,10H,3-4,7-8H2,(H,16,17)
InChIKeyYVBQLCKBPJSGSH-UHFFFAOYSA-N
MW267.71 g/mol
LogP2.16
Rot. Bonds5

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

2-[(4-chlorophenyl)methyl-(cyclopropanecarbonyl)amino]acetic acid (PubChem CID 119193487) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-(cyclopropanecarbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-(cyclopropanecarbonyl)amino]acetic acid
PubChem CID119193487
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC Name2-[(4-chlorophenyl)methyl-(cyclopropanecarbonyl)amino]acetic acid
SMILESO=C(O)CN(Cc1ccc(Cl)cc1)C(=O)C1CC1
InChIInChI=1S/C13H14ClNO3/c14-11-5-1-9(2-6-11)7-15(8-12(16)17)13(18)10-3-4-10/h1-2,5-6,10H,3-4,7-8H2,(H,16,17)
InChIKeyYVBQLCKBPJSGSH-UHFFFAOYSA-N
XLogP2.16
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenyl)methyl-(1-methyl-2-oxopiperidine-4-carbonyl)amino]acetic acid
CID 119193545
2-[(4-chlorophenyl)methyl-(2,2-dimethylcyclopropanecarbonyl)amino]acetic acid
CID 120517344
2-[(4-chlorophenyl)methyl-(oxolane-2-carbonyl)amino]acetic acid
CID 119193651
2-[(4-chlorophenyl)methyl-[(2S)-1,4-dioxane-2-carbonyl]amino]acetic acid
CID 129466920
2-[benzyl-(4,4-difluorocyclohexanecarbonyl)amino]acetic acid
CID 120517973
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]cyclopropanecarboxamide
CID 60912130
N,N-bis[(4-fluorophenyl)methyl]cyclopropanecarboxamide
CID 110190860
2-[(4-chlorophenyl)methyl-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 119193558
2-[(4-chlorophenyl)methyl-[2-(oxan-4-yl)propanoyl]amino]acetic acid
CID 120686069
2-[(4-chlorophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 39422832
2-[cyclopent-3-ene-1-carbonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetic acid
CID 119197237
N-benzyl-1-[(4-chlorophenyl)methyl]-N-ethylpiperidine-4-carboxamide;oxalic acid
CID 2903464

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-(cyclopropanecarbonyl)amino]acetic acid?
The IUPAC name of 2-[(4-chlorophenyl)methyl-(cyclopropanecarbonyl)amino]acetic acid (CID 119193487) is 2-[(4-chlorophenyl)methyl-(cyclopropanecarbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-(cyclopropanecarbonyl)amino]acetic acid?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-(cyclopropanecarbonyl)amino]acetic acid is O=C(O)CN(Cc1ccc(Cl)cc1)C(=O)C1CC1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-(cyclopropanecarbonyl)amino]acetic acid?
The InChIKey is YVBQLCKBPJSGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3/c14-11-5-1-9(2-6-11)7-15(8-12(16)17)13(18)10-3-4-10/h1-2,5-6,10H,3-4,7-8H2,(H,16,17).
What are the key properties of 2-[(4-chlorophenyl)methyl-(cyclopropanecarbonyl)amino]acetic acid?
2-[(4-chlorophenyl)methyl-(cyclopropanecarbonyl)amino]acetic acid has a molecular weight of 267.71 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-(cyclopropanecarbonyl)amino]acetic acid is sourced from PubChem (CID 119193487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).