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

C12H16N2O3 — CID 139597591

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 Name2-[4-(dimethylcarbamoylamino)phenyl]propanoic acid
PubChem CID139597591
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-[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
XLogP1.97
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[4-(dimethylcarbamoylamino)phenyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Actarit
CID 2018
Alminoprofen
CID 2097
2-[4-(Carbamoylamino)phenyl]propanoic acid
CID 12436937
[4-(3-Adamantan-1-yl-ureido)-phenyl]-acetic acid
CID 44582486
Ido-IN-4
CID 118676157
N'-[4-(1-Hydroxypropan-2-yl)phenyl]-N,N-dimethylurea
CID 71347980
(3R)-3-{4-[2-(4-{[(2-methylphenyl)carbamoyl]amino}phenyl)acetamido]phenyl}butanoic acid
CID 23647523
1-p-Tolylcarbamoyl-piperidine-3-carboxylic acid
CID 3153620
(S)-2-[3-(4-Ethyl-phenyl)-ureido]-3-methyl-pentanoic acid
CID 16682293
Methyl(4-piperidinophenyl)acetic acid
CID 213515
(alphaS)-alpha-Methyl-4-((2-methyl-2-propen-1-yl)amino)benzeneacetic acid
CID 69305006
4-(3,3-Dimethylureido)benzoic acid
CID 350217

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).