3-[(2-chlorophenyl)carbamoylamino]-2-methylpropanoic acid

Name: 3-[(2-chlorophenyl)carbamoylamino]-2-methylpropanoic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₁₃ClN₂O₃ — CID 62674288

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-[(2-chlorophenyl)carbamoylamino]-2-methylpropanoic acid

SMILESCC(CNC(=O)Nc1ccccc1Cl)C(=O)O

InChIInChI=1S/C11H13ClN2O3/c1-7(10(15)16)6-13-11(17)14-9-5-3-2-4-8(9)12/h2-5,7H,6H2,1H3,(H,15,16)(H2,13,14,17)

InChIKeyXDFSOZULLVBMAE-UHFFFAOYSA-N

MW256.69 g/mol

LogP2.18

Rot. Bonds4

About 3-[(2-chlorophenyl)carbamoylamino]-2-methylpropanoic acid

3-[(2-chlorophenyl)carbamoylamino]-2-methylpropanoic acid (PubChem CID 62674288) has the molecular formula C₁₁H₁₃ClN₂O₃ and a molecular weight of 256.69 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)carbamoylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name	3-[(2-chlorophenyl)carbamoylamino]-2-methylpropanoic acid
PubChem CID	62674288
Molecular Formula	C₁₁H₁₃ClN₂O₃
Molecular Weight	256.69 g/mol
Exact Mass	256.06
IUPAC Name	3-[(2-chlorophenyl)carbamoylamino]-2-methylpropanoic acid
SMILES	CC(CNC(=O)Nc1ccccc1Cl)C(=O)O
InChI	InChI=1S/C11H13ClN2O3/c1-7(10(15)16)6-13-11(17)14-9-5-3-2-4-8(9)12/h2-5,7H,6H2,1H3,(H,15,16)(H2,13,14,17)
InChIKey	XDFSOZULLVBMAE-UHFFFAOYSA-N
XLogP	2.18
TPSA	78.43 Å²
H-Bond Donors	3
H-Bond Acceptors	2
Rotatable Bonds	4
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	256.69
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)carbamoylamino]-2-methylpropanoic acid?

The IUPAC name of 3-[(2-chlorophenyl)carbamoylamino]-2-methylpropanoic acid (CID 62674288) is 3-[(2-chlorophenyl)carbamoylamino]-2-methylpropanoic acid.

What is the SMILES notation for 3-[(2-chlorophenyl)carbamoylamino]-2-methylpropanoic acid?

The canonical SMILES for 3-[(2-chlorophenyl)carbamoylamino]-2-methylpropanoic acid is CC(CNC(=O)Nc1ccccc1Cl)C(=O)O.

What is the InChIKey of 3-[(2-chlorophenyl)carbamoylamino]-2-methylpropanoic acid?

The InChIKey is XDFSOZULLVBMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c1-7(10(15)16)6-13-11(17)14-9-5-3-2-4-8(9)12/h2-5,7H,6H2,1H3,(H,15,16)(H2,13,14,17).

What are the key properties of 3-[(2-chlorophenyl)carbamoylamino]-2-methylpropanoic acid?

3-[(2-chlorophenyl)carbamoylamino]-2-methylpropanoic acid has a molecular weight of 256.69 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2-chlorophenyl)carbamoylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62674288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 62674288 — identifiers, structure, computed properties (public domain)

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