(2S)-2-[[(2S)-4-amino-2-(butanoylamino)butanoyl]amino]-4-methylpentanamide

C14H28N4O3 — CID 138591199

IUPAC(2S)-2-[[(2S)-4-amino-2-(butanoylamino)butanoyl]amino]-4-methylpentanamide
SMILESCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H](CC(C)C)C(N)=O
InChIInChI=1S/C14H28N4O3/c1-4-5-12(19)17-10(6-7-15)14(21)18-11(13(16)20)8-9(2)3/h9-11H,4-8,15H2,1-3H3,(H2,16,20)(H,17,19)(H,18,21)/t10-,11-/m0/s1
InChIKeyVCPZGHLOFKBEGA-QWRGUYRKSA-N
MW300.40 g/mol
LogP-0.36
Rot. Bonds10

About (2S)-2-[[(2S)-4-amino-2-(butanoylamino)butanoyl]amino]-4-methylpentanamide

(2S)-2-[[(2S)-4-amino-2-(butanoylamino)butanoyl]amino]-4-methylpentanamide (PubChem CID 138591199) has the molecular formula C14H28N4O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is (2S)-2-[[(2S)-4-amino-2-(butanoylamino)butanoyl]amino]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-[[(2S)-4-amino-2-(butanoylamino)butanoyl]amino]-4-methylpentanamide
PubChem CID138591199
Molecular FormulaC14H28N4O3
Molecular Weight300.40 g/mol
Exact Mass300.22
IUPAC Name(2S)-2-[[(2S)-4-amino-2-(butanoylamino)butanoyl]amino]-4-methylpentanamide
SMILESCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H](CC(C)C)C(N)=O
InChIInChI=1S/C14H28N4O3/c1-4-5-12(19)17-10(6-7-15)14(21)18-11(13(16)20)8-9(2)3/h9-11H,4-8,15H2,1-3H3,(H2,16,20)(H,17,19)(H,18,21)/t10-,11-/m0/s1
InChIKeyVCPZGHLOFKBEGA-QWRGUYRKSA-N
XLogP-0.36
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 5-0.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[(2S)-4-amino-2-(butanoylamino)butanoyl]amino]-4-methylpentanamide 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 (2S)-2-[[(2S)-4-amino-2-(butanoylamino)butanoyl]amino]-4-methylpentanamide?
The IUPAC name of (2S)-2-[[(2S)-4-amino-2-(butanoylamino)butanoyl]amino]-4-methylpentanamide (CID 138591199) is (2S)-2-[[(2S)-4-amino-2-(butanoylamino)butanoyl]amino]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-[[(2S)-4-amino-2-(butanoylamino)butanoyl]amino]-4-methylpentanamide?
The canonical SMILES for (2S)-2-[[(2S)-4-amino-2-(butanoylamino)butanoyl]amino]-4-methylpentanamide is CCCC(=O)N[C@@H](CCN)C(=O)N[C@@H](CC(C)C)C(N)=O.
What is the InChIKey of (2S)-2-[[(2S)-4-amino-2-(butanoylamino)butanoyl]amino]-4-methylpentanamide?
The InChIKey is VCPZGHLOFKBEGA-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H28N4O3/c1-4-5-12(19)17-10(6-7-15)14(21)18-11(13(16)20)8-9(2)3/h9-11H,4-8,15H2,1-3H3,(H2,16,20)(H,17,19)(H,18,21)/t10-,11-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-4-amino-2-(butanoylamino)butanoyl]amino]-4-methylpentanamide?
(2S)-2-[[(2S)-4-amino-2-(butanoylamino)butanoyl]amino]-4-methylpentanamide has a molecular weight of 300.40 g/mol, XLogP of -0.36, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-4-amino-2-(butanoylamino)butanoyl]amino]-4-methylpentanamide is sourced from PubChem (CID 138591199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).