2-[acetyl-(2-aminoacetyl)amino]-4-methylpentanoic acid

C10H18N2O4 — CID 88739423

IUPAC2-[acetyl-(2-aminoacetyl)amino]-4-methylpentanoic acid
SMILESCC(=O)N(C(=O)CN)C(CC(C)C)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-6(2)4-8(10(15)16)12(7(3)13)9(14)5-11/h6,8H,4-5,11H2,1-3H3,(H,15,16)
InChIKeyYNUGWXVKJCIYOD-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.18
Rot. Bonds5

About 2-[acetyl-(2-aminoacetyl)amino]-4-methylpentanoic acid

2-[acetyl-(2-aminoacetyl)amino]-4-methylpentanoic acid (PubChem CID 88739423) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-[acetyl-(2-aminoacetyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[acetyl-(2-aminoacetyl)amino]-4-methylpentanoic acid
PubChem CID88739423
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-[acetyl-(2-aminoacetyl)amino]-4-methylpentanoic acid
SMILESCC(=O)N(C(=O)CN)C(CC(C)C)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-6(2)4-8(10(15)16)12(7(3)13)9(14)5-11/h6,8H,4-5,11H2,1-3H3,(H,15,16)
InChIKeyYNUGWXVKJCIYOD-UHFFFAOYSA-N
XLogP-0.18
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[acetyl-(2-aminoacetyl)amino]-4-methylpentanoic 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-[acetyl-(2-aminoacetyl)amino]-4-methylpentanoic acid?
The IUPAC name of 2-[acetyl-(2-aminoacetyl)amino]-4-methylpentanoic acid (CID 88739423) is 2-[acetyl-(2-aminoacetyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[acetyl-(2-aminoacetyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[acetyl-(2-aminoacetyl)amino]-4-methylpentanoic acid is CC(=O)N(C(=O)CN)C(CC(C)C)C(=O)O.
What is the InChIKey of 2-[acetyl-(2-aminoacetyl)amino]-4-methylpentanoic acid?
The InChIKey is YNUGWXVKJCIYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-6(2)4-8(10(15)16)12(7(3)13)9(14)5-11/h6,8H,4-5,11H2,1-3H3,(H,15,16).
What are the key properties of 2-[acetyl-(2-aminoacetyl)amino]-4-methylpentanoic acid?
2-[acetyl-(2-aminoacetyl)amino]-4-methylpentanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-(2-aminoacetyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 88739423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).