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

C13H18N2O3 — CID 61190715

IUPAC3-[(4-ethylphenyl)carbamoylamino]butanoic acid
SMILESCCc1ccc(NC(=O)NC(C)CC(=O)O)cc1
InChIInChI=1S/C13H18N2O3/c1-3-10-4-6-11(7-5-10)15-13(18)14-9(2)8-12(16)17/h4-7,9H,3,8H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyNJEUZFIGCOJSON-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.23
Rot. Bonds5

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

3-[(4-ethylphenyl)carbamoylamino]butanoic acid (PubChem CID 61190715) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-[(4-ethylphenyl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name3-[(4-ethylphenyl)carbamoylamino]butanoic acid
PubChem CID61190715
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name3-[(4-ethylphenyl)carbamoylamino]butanoic acid
SMILESCCc1ccc(NC(=O)NC(C)CC(=O)O)cc1
InChIInChI=1S/C13H18N2O3/c1-3-10-4-6-11(7-5-10)15-13(18)14-9(2)8-12(16)17/h4-7,9H,3,8H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyNJEUZFIGCOJSON-UHFFFAOYSA-N
XLogP2.23
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-ethylphenyl)carbamoylamino]propanoic acid
CID 4026936
5-[(4-ethylphenyl)carbamoylamino]-3-methyl-5-oxopentanoic acid
CID 62964654
2-[(4-ethylphenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 61189704
2-[(4-ethylphenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 61190716
4-ethyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38175728
1-(1-cyclopropylethyl)-3-(4-ethylphenyl)urea
CID 47133172
1-(4-ethylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 4111810
1-(4-ethylphenyl)-3-methylurea
CID 54250791
(2S)-2-[(4-ethylphenyl)carbamoylamino]-4-methylpentanoate
CID 6956369
4-[(4-ethylphenyl)carbamoylamino]benzoic acid
CID 23551476
N'-[(2S)-butan-2-yl]-N-(4-ethylphenyl)oxamide
CID 41312150
3-[(4-ethylphenyl)carbamoylamino]propanoic acid
CID 28510852

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylphenyl)carbamoylamino]butanoic acid?
The IUPAC name of 3-[(4-ethylphenyl)carbamoylamino]butanoic acid (CID 61190715) is 3-[(4-ethylphenyl)carbamoylamino]butanoic acid.
What is the SMILES notation for 3-[(4-ethylphenyl)carbamoylamino]butanoic acid?
The canonical SMILES for 3-[(4-ethylphenyl)carbamoylamino]butanoic acid is CCc1ccc(NC(=O)NC(C)CC(=O)O)cc1.
What is the InChIKey of 3-[(4-ethylphenyl)carbamoylamino]butanoic acid?
The InChIKey is NJEUZFIGCOJSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-10-4-6-11(7-5-10)15-13(18)14-9(2)8-12(16)17/h4-7,9H,3,8H2,1-2H3,(H,16,17)(H2,14,15,18).
What are the key properties of 3-[(4-ethylphenyl)carbamoylamino]butanoic acid?
3-[(4-ethylphenyl)carbamoylamino]butanoic acid has a molecular weight of 250.30 g/mol, XLogP of 2.23, 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]butanoic acid is sourced from PubChem (CID 61190715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).