4-[(4-acetylphenyl)carbamoylamino]butanoic acid

C13H16N2O4 — CID 28511845

IUPAC4-[(4-acetylphenyl)carbamoylamino]butanoic acid
SMILESCC(=O)c1ccc(NC(=O)NCCCC(=O)O)cc1
InChIInChI=1S/C13H16N2O4/c1-9(16)10-4-6-11(7-5-10)15-13(19)14-8-2-3-12(17)18/h4-7H,2-3,8H2,1H3,(H,17,18)(H2,14,15,19)
InChIKeyADZDXTLUIFHCIZ-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.88
Rot. Bonds6

About 4-[(4-acetylphenyl)carbamoylamino]butanoic acid

4-[(4-acetylphenyl)carbamoylamino]butanoic acid (PubChem CID 28511845) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-[(4-acetylphenyl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name4-[(4-acetylphenyl)carbamoylamino]butanoic acid
PubChem CID28511845
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name4-[(4-acetylphenyl)carbamoylamino]butanoic acid
SMILESCC(=O)c1ccc(NC(=O)NCCCC(=O)O)cc1
InChIInChI=1S/C13H16N2O4/c1-9(16)10-4-6-11(7-5-10)15-13(19)14-8-2-3-12(17)18/h4-7H,2-3,8H2,1H3,(H,17,18)(H2,14,15,19)
InChIKeyADZDXTLUIFHCIZ-UHFFFAOYSA-N
XLogP1.88
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[4-(tert-butylcarbamoyl)phenyl]carbamoylamino]butanoic acid
CID 122075360
ethyl 4-[(4-acetylphenyl)carbamoylamino]butanoate
CID 38882652
4-[(4-iodophenyl)carbamoylamino]butanoic acid
CID 61185530
6-[(4-carbamoylphenyl)carbamoylamino]hexanoic acid
CID 61185640
1-(4-acetylphenyl)-3-(4-cyanobutyl)urea
CID 63297190
4-(pyridin-4-ylcarbamoylamino)butanoic acid
CID 108892691
4-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]carbamoylamino]butanoic acid
CID 122075740
4-[(3-acetyl-4-fluorophenyl)carbamoylamino]butanoic acid
CID 122093225
1-(4-acetylphenyl)-3-[3-(2-methoxyethoxy)propyl]urea
CID 60724202
4-[[4-(2-methoxy-2-oxoethyl)phenyl]carbamoylamino]butanoic acid
CID 122077972
6-[(4-ethylphenyl)carbamoylamino]hexanoic acid
CID 61189525
5-[(4-acetylbenzoyl)amino]pentanoic acid
CID 119234275

Frequently Asked Questions

What is the IUPAC name of 4-[(4-acetylphenyl)carbamoylamino]butanoic acid?
The IUPAC name of 4-[(4-acetylphenyl)carbamoylamino]butanoic acid (CID 28511845) is 4-[(4-acetylphenyl)carbamoylamino]butanoic acid.
What is the SMILES notation for 4-[(4-acetylphenyl)carbamoylamino]butanoic acid?
The canonical SMILES for 4-[(4-acetylphenyl)carbamoylamino]butanoic acid is CC(=O)c1ccc(NC(=O)NCCCC(=O)O)cc1.
What is the InChIKey of 4-[(4-acetylphenyl)carbamoylamino]butanoic acid?
The InChIKey is ADZDXTLUIFHCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-9(16)10-4-6-11(7-5-10)15-13(19)14-8-2-3-12(17)18/h4-7H,2-3,8H2,1H3,(H,17,18)(H2,14,15,19).
What are the key properties of 4-[(4-acetylphenyl)carbamoylamino]butanoic acid?
4-[(4-acetylphenyl)carbamoylamino]butanoic acid has a molecular weight of 264.28 g/mol, XLogP of 1.88, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-acetylphenyl)carbamoylamino]butanoic acid is sourced from PubChem (CID 28511845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).