2-[4-(dimethylcarbamoylamino)phenyl]propanoic acid

Name: 2-[4-(dimethylcarbamoylamino)phenyl]propanoic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₁₆N₂O₃ — CID 139597591

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

IUPAC2-[4-(dimethylcarbamoylamino)phenyl]propanoic acid

SMILESCC(C(=O)O)c1ccc(NC(=O)N(C)C)cc1

InChIInChI=1S/C12H16N2O3/c1-8(11(15)16)9-4-6-10(7-5-9)13-12(17)14(2)3/h4-8H,1-3H3,(H,13,17)(H,15,16)

InChIKeyWDEKGWALVIFFIH-UHFFFAOYSA-N

MW236.27 g/mol

LogP1.97

Rot. Bonds3

About 2-[4-(dimethylcarbamoylamino)phenyl]propanoic acid

2-[4-(dimethylcarbamoylamino)phenyl]propanoic acid (PubChem CID 139597591) has the molecular formula C₁₂H₁₆N₂O₃ and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[4-(dimethylcarbamoylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name	2-[4-(dimethylcarbamoylamino)phenyl]propanoic acid
PubChem CID	139597591
Molecular Formula	C₁₂H₁₆N₂O₃
Molecular Weight	236.27 g/mol
Exact Mass	236.12
IUPAC Name	2-[4-(dimethylcarbamoylamino)phenyl]propanoic acid
SMILES	CC(C(=O)O)c1ccc(NC(=O)N(C)C)cc1
InChI	InChI=1S/C12H16N2O3/c1-8(11(15)16)9-4-6-10(7-5-9)13-12(17)14(2)3/h4-8H,1-3H3,(H,13,17)(H,15,16)
InChIKey	WDEKGWALVIFFIH-UHFFFAOYSA-N
XLogP	1.97
TPSA	69.64 Å²
H-Bond Donors	2
H-Bond Acceptors	2
Rotatable Bonds	3
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	236.27
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylcarbamoylamino)phenyl]propanoic acid?

The IUPAC name of 2-[4-(dimethylcarbamoylamino)phenyl]propanoic acid (CID 139597591) is 2-[4-(dimethylcarbamoylamino)phenyl]propanoic acid.

What is the SMILES notation for 2-[4-(dimethylcarbamoylamino)phenyl]propanoic acid?

The canonical SMILES for 2-[4-(dimethylcarbamoylamino)phenyl]propanoic acid is CC(C(=O)O)c1ccc(NC(=O)N(C)C)cc1.

What is the InChIKey of 2-[4-(dimethylcarbamoylamino)phenyl]propanoic acid?

The InChIKey is WDEKGWALVIFFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8(11(15)16)9-4-6-10(7-5-9)13-12(17)14(2)3/h4-8H,1-3H3,(H,13,17)(H,15,16).

What are the key properties of 2-[4-(dimethylcarbamoylamino)phenyl]propanoic acid?

2-[4-(dimethylcarbamoylamino)phenyl]propanoic acid has a molecular weight of 236.27 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(dimethylcarbamoylamino)phenyl]propanoic acid is sourced from PubChem (CID 139597591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 139597591 — identifiers, structure, computed properties (public domain)

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