2-[(4-ethylphenyl)carbamoylamino]propanoic acid

C12H16N2O3 — CID 4026936

IUPAC2-[(4-ethylphenyl)carbamoylamino]propanoic acid
SMILESCCc1ccc(NC(=O)NC(C)C(=O)O)cc1
InChIInChI=1S/C12H16N2O3/c1-3-9-4-6-10(7-5-9)14-12(17)13-8(2)11(15)16/h4-8H,3H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyQEJODJPPGMRNTO-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.84
Rot. Bonds4

About 2-[(4-ethylphenyl)carbamoylamino]propanoic acid

2-[(4-ethylphenyl)carbamoylamino]propanoic acid (PubChem CID 4026936) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-[(4-ethylphenyl)carbamoylamino]propanoic acid
PubChem CID4026936
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-[(4-ethylphenyl)carbamoylamino]propanoic acid
SMILESCCc1ccc(NC(=O)NC(C)C(=O)O)cc1
InChIInChI=1S/C12H16N2O3/c1-3-9-4-6-10(7-5-9)14-12(17)13-8(2)11(15)16/h4-8H,3H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyQEJODJPPGMRNTO-UHFFFAOYSA-N
XLogP1.84
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-ethylphenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 61189704
3-[(4-ethylphenyl)carbamoylamino]butanoic acid
CID 61190715
2-[(4-ethylphenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 61190716
(2R)-2-[(4-fluorophenyl)carbamoylamino]propanoic acid
CID 20848024
(2R)-2-[(3-ethyl-4-methylphenyl)carbamoylamino]propanoic acid
CID 114189010
2-[(4-phenylphenyl)carbamoylamino]propanoic acid
CID 62254578
(2S)-2-[(4-propoxyphenyl)carbamoylamino]propanoic acid
CID 55059835
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate
CID 8887293
(2S)-2-[[4-(dimethylamino)phenyl]carbamoylamino]propanoic acid
CID 78967872
1-(4-ethylphenyl)-3-(1-hydroxypentan-3-yl)urea
CID 111452689
1-(1-cyclopropylethyl)-3-(4-ethylphenyl)urea
CID 47133172
4-ethyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38175728

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenyl)carbamoylamino]propanoic acid?
The IUPAC name of 2-[(4-ethylphenyl)carbamoylamino]propanoic acid (CID 4026936) is 2-[(4-ethylphenyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 2-[(4-ethylphenyl)carbamoylamino]propanoic acid?
The canonical SMILES for 2-[(4-ethylphenyl)carbamoylamino]propanoic acid is CCc1ccc(NC(=O)NC(C)C(=O)O)cc1.
What is the InChIKey of 2-[(4-ethylphenyl)carbamoylamino]propanoic acid?
The InChIKey is QEJODJPPGMRNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-3-9-4-6-10(7-5-9)14-12(17)13-8(2)11(15)16/h4-8H,3H2,1-2H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-[(4-ethylphenyl)carbamoylamino]propanoic acid?
2-[(4-ethylphenyl)carbamoylamino]propanoic acid has a molecular weight of 236.27 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 4026936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).