2-acetamido-5-amino-5-oxopentanoic acid

C7H12N2O4 — CID 25561

IUPAC2-acetamido-5-amino-5-oxopentanoic acid
SMILESCC(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C7H12N2O4/c1-4(10)9-5(7(12)13)2-3-6(8)11/h5H,2-3H2,1H3,(H2,8,11)(H,9,10)(H,12,13)
InChIKeyKSMRODHGGIIXDV-UHFFFAOYSA-N
MW188.18 g/mol
LogP-1.16
Rot. Bonds5

About 2-acetamido-5-amino-5-oxopentanoic acid

2-acetamido-5-amino-5-oxopentanoic acid (PubChem CID 25561) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is 2-acetamido-5-amino-5-oxopentanoic acid.

Molecular Properties

Compound Name2-acetamido-5-amino-5-oxopentanoic acid
PubChem CID25561
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name2-acetamido-5-amino-5-oxopentanoic acid
SMILESCC(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C7H12N2O4/c1-4(10)9-5(7(12)13)2-3-6(8)11/h5H,2-3H2,1H3,(H2,8,11)(H,9,10)(H,12,13)
InChIKeyKSMRODHGGIIXDV-UHFFFAOYSA-N
XLogP-1.16
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-acetamido-5-amino-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-5-amino-5-oxopentanoic acid?
The IUPAC name of 2-acetamido-5-amino-5-oxopentanoic acid (CID 25561) is 2-acetamido-5-amino-5-oxopentanoic acid.
What is the SMILES notation for 2-acetamido-5-amino-5-oxopentanoic acid?
The canonical SMILES for 2-acetamido-5-amino-5-oxopentanoic acid is CC(=O)NC(CCC(N)=O)C(=O)O.
What is the InChIKey of 2-acetamido-5-amino-5-oxopentanoic acid?
The InChIKey is KSMRODHGGIIXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O4/c1-4(10)9-5(7(12)13)2-3-6(8)11/h5H,2-3H2,1H3,(H2,8,11)(H,9,10)(H,12,13).
What are the key properties of 2-acetamido-5-amino-5-oxopentanoic acid?
2-acetamido-5-amino-5-oxopentanoic acid has a molecular weight of 188.18 g/mol, XLogP of -1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-5-amino-5-oxopentanoic acid is sourced from PubChem (CID 25561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).