4-acetamidobutanoic acid

C6H11NO3 — CID 18189

IUPAC4-acetamidobutanoic acid
SMILESCC(=O)NCCCC(=O)O
InChIInChI=1S/C6H11NO3/c1-5(8)7-4-2-3-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10)
InChIKeyUZTFMUBKZQVKLK-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.01
Rot. Bonds4

About 4-acetamidobutanoic acid

4-acetamidobutanoic acid (PubChem CID 18189) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 4-acetamidobutanoic acid.

Molecular Properties

Compound Name4-acetamidobutanoic acid
PubChem CID18189
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name4-acetamidobutanoic acid
SMILESCC(=O)NCCCC(=O)O
InChIInChI=1S/C6H11NO3/c1-5(8)7-4-2-3-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10)
InChIKeyUZTFMUBKZQVKLK-UHFFFAOYSA-N
XLogP-0.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-acetamidobutanoic acid?
The IUPAC name of 4-acetamidobutanoic acid (CID 18189) is 4-acetamidobutanoic acid.
What is the SMILES notation for 4-acetamidobutanoic acid?
The canonical SMILES for 4-acetamidobutanoic acid is CC(=O)NCCCC(=O)O.
What is the InChIKey of 4-acetamidobutanoic acid?
The InChIKey is UZTFMUBKZQVKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-5(8)7-4-2-3-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10).
What are the key properties of 4-acetamidobutanoic acid?
4-acetamidobutanoic acid has a molecular weight of 145.16 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamidobutanoic acid is sourced from PubChem (CID 18189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).