2-[(4-chlorophenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid

C14H19ClN2O3 — CID 63066307

IUPAC2-[(4-chlorophenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O3/c1-10(2)8-17(9-13(18)19)14(20)16-7-11-3-5-12(15)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyFSGLKJJJZHXJNV-UHFFFAOYSA-N
MW298.77 g/mol
LogP2.59
Rot. Bonds6

About 2-[(4-chlorophenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid

2-[(4-chlorophenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid (PubChem CID 63066307) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid
PubChem CID63066307
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name2-[(4-chlorophenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O3/c1-10(2)8-17(9-13(18)19)14(20)16-7-11-3-5-12(15)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyFSGLKJJJZHXJNV-UHFFFAOYSA-N
XLogP2.59
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-ethylphenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid
CID 103995670
2-[furan-3-ylmethylcarbamoyl(2-methylpropyl)amino]acetic acid
CID 103997753
2-[acetyl(2-methylpropyl)amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 113158842
2-[benzylcarbamoyl(2-methylpropyl)amino]acetamide
CID 107653133
2-[3-(4-chlorophenyl)propanoyl-(2-methylpropyl)amino]acetic acid
CID 119192835
3-[(4-chlorophenyl)methylcarbamoyl-ethylamino]butanoic acid
CID 62826590
2-[2-methylpropyl(thiophen-2-ylmethylcarbamoyl)amino]acetic acid
CID 63065790
2-[(4-chlorophenyl)methylcarbamoyl-cyclopropylamino]acetic acid
CID 54978380
2-[4-[(4-chlorobenzoyl)amino]butanoyl-(2-methylpropyl)amino]acetic acid
CID 119193162
3-[(4-chlorophenyl)methyl]-1,1-bis(prop-2-enyl)urea
CID 108899227
2-[3-(4-chlorophenyl)sulfanylpropanoyl-(2-methylpropyl)amino]acetic acid
CID 63072580
2-[2-methylpropyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid
CID 106382782

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(4-chlorophenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid (CID 63066307) is 2-[(4-chlorophenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-chlorophenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(4-chlorophenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid?
The InChIKey is FSGLKJJJZHXJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-10(2)8-17(9-13(18)19)14(20)16-7-11-3-5-12(15)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[(4-chlorophenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid?
2-[(4-chlorophenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid has a molecular weight of 298.77 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 63066307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).