3-[(4-ethylphenyl)carbamoylamino]propanoic acid

C12H16N2O3 — CID 28510852

IUPAC3-[(4-ethylphenyl)carbamoylamino]propanoic acid
SMILESCCc1ccc(NC(=O)NCCC(=O)O)cc1
InChIInChI=1S/C12H16N2O3/c1-2-9-3-5-10(6-4-9)14-12(17)13-8-7-11(15)16/h3-6H,2,7-8H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyIWWWPDKVGZFWLW-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.85
Rot. Bonds5

About 3-[(4-ethylphenyl)carbamoylamino]propanoic acid

3-[(4-ethylphenyl)carbamoylamino]propanoic acid (PubChem CID 28510852) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-[(4-ethylphenyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[(4-ethylphenyl)carbamoylamino]propanoic acid
PubChem CID28510852
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name3-[(4-ethylphenyl)carbamoylamino]propanoic acid
SMILESCCc1ccc(NC(=O)NCCC(=O)O)cc1
InChIInChI=1S/C12H16N2O3/c1-2-9-3-5-10(6-4-9)14-12(17)13-8-7-11(15)16/h3-6H,2,7-8H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyIWWWPDKVGZFWLW-UHFFFAOYSA-N
XLogP1.85
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-ethylphenyl)carbamothioylamino]propanoic acid
CID 3008620
6-[(4-ethylphenyl)carbamoylamino]hexanoic acid
CID 61189525
3-[[4-(methylsulfanylmethyl)phenyl]carbamoylamino]propanoic acid
CID 122079099
1-ethyl-3-(4-ethylphenyl)urea
CID 20721116
3-[(4-tert-butylphenyl)carbamoylamino]propanoic acid
CID 28510898
3-[[2-[2-(4-ethylanilino)-2-oxoethyl]sulfanylacetyl]amino]propanoic acid
CID 82033038
4-[(4-ethylphenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107838166
4-[4-(butylcarbamoylamino)phenyl]butanoic acid
CID 68943734
3-[(4-ethyl-3-fluorophenyl)carbamoylamino]propanoic acid
CID 122087500
3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]carbamoylamino]propanoic acid
CID 98035192
1-(4-ethylphenyl)-3-methylurea
CID 54250791
3-[4-(2-methylsulfanylethylcarbamoylamino)phenyl]propanoic acid
CID 115340942

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylphenyl)carbamoylamino]propanoic acid?
The IUPAC name of 3-[(4-ethylphenyl)carbamoylamino]propanoic acid (CID 28510852) is 3-[(4-ethylphenyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 3-[(4-ethylphenyl)carbamoylamino]propanoic acid?
The canonical SMILES for 3-[(4-ethylphenyl)carbamoylamino]propanoic acid is CCc1ccc(NC(=O)NCCC(=O)O)cc1.
What is the InChIKey of 3-[(4-ethylphenyl)carbamoylamino]propanoic acid?
The InChIKey is IWWWPDKVGZFWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-2-9-3-5-10(6-4-9)14-12(17)13-8-7-11(15)16/h3-6H,2,7-8H2,1H3,(H,15,16)(H2,13,14,17).
What are the key properties of 3-[(4-ethylphenyl)carbamoylamino]propanoic acid?
3-[(4-ethylphenyl)carbamoylamino]propanoic acid has a molecular weight of 236.27 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylphenyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 28510852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).