3-[4-(4-acetamidophenyl)butanoylamino]propanoic acid

C15H20N2O4 — CID 82224433

IUPAC3-[4-(4-acetamidophenyl)butanoylamino]propanoic acid
SMILESCC(=O)Nc1ccc(CCCC(=O)NCCC(=O)O)cc1
InChIInChI=1S/C15H20N2O4/c1-11(18)17-13-7-5-12(6-8-13)3-2-4-14(19)16-10-9-15(20)21/h5-8H,2-4,9-10H2,1H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyYJBODVCQPSFGLP-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.56
Rot. Bonds8

About 3-[4-(4-acetamidophenyl)butanoylamino]propanoic acid

3-[4-(4-acetamidophenyl)butanoylamino]propanoic acid (PubChem CID 82224433) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-[4-(4-acetamidophenyl)butanoylamino]propanoic acid.

Molecular Properties

Compound Name3-[4-(4-acetamidophenyl)butanoylamino]propanoic acid
PubChem CID82224433
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name3-[4-(4-acetamidophenyl)butanoylamino]propanoic acid
SMILESCC(=O)Nc1ccc(CCCC(=O)NCCC(=O)O)cc1
InChIInChI=1S/C15H20N2O4/c1-11(18)17-13-7-5-12(6-8-13)3-2-4-14(19)16-10-9-15(20)21/h5-8H,2-4,9-10H2,1H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyYJBODVCQPSFGLP-UHFFFAOYSA-N
XLogP1.56
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-acetamidophenyl)pentanoic acid
CID 82255364
3-[4-(4-propan-2-ylphenyl)butanoylamino]propanoic acid
CID 82224317
3-[4-(4-ethoxyphenyl)butanoylamino]propanoic acid
CID 82224413
2-(4-acetamidophenyl)-N-(3-phenylpropyl)acetamide
CID 27647223
4-[4-(4-propylphenyl)butanoylamino]butanoic acid
CID 82224500
7-[4-[(4-acetamidophenyl)methyl]phenyl]heptanoic acid
CID 15667466
N-[4-(4-oxopentyl)phenyl]-4-phenylbutanamide
CID 21335633
4-[4-(butylcarbamoylamino)phenyl]butanoic acid
CID 68943734
3-(4-acetamidoanilino)-N-(2-phenylethyl)propanamide
CID 109024184
N-(4-acetamidobutyl)-4-(4-fluorophenyl)butanamide
CID 110355184
3-(4-acetamidophenyl)sulfonyl-N-(2-phenylethyl)propanamide
CID 110410830
8-(4-phenylbutanoylamino)octanoic acid
CID 71129906

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-acetamidophenyl)butanoylamino]propanoic acid?
The IUPAC name of 3-[4-(4-acetamidophenyl)butanoylamino]propanoic acid (CID 82224433) is 3-[4-(4-acetamidophenyl)butanoylamino]propanoic acid.
What is the SMILES notation for 3-[4-(4-acetamidophenyl)butanoylamino]propanoic acid?
The canonical SMILES for 3-[4-(4-acetamidophenyl)butanoylamino]propanoic acid is CC(=O)Nc1ccc(CCCC(=O)NCCC(=O)O)cc1.
What is the InChIKey of 3-[4-(4-acetamidophenyl)butanoylamino]propanoic acid?
The InChIKey is YJBODVCQPSFGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-11(18)17-13-7-5-12(6-8-13)3-2-4-14(19)16-10-9-15(20)21/h5-8H,2-4,9-10H2,1H3,(H,16,19)(H,17,18)(H,20,21).
What are the key properties of 3-[4-(4-acetamidophenyl)butanoylamino]propanoic acid?
3-[4-(4-acetamidophenyl)butanoylamino]propanoic acid has a molecular weight of 292.34 g/mol, XLogP of 1.56, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-acetamidophenyl)butanoylamino]propanoic acid is sourced from PubChem (CID 82224433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).