(2S)-2-acetamido-4-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]pentanamide

C13H24N2O3 — CID 10038050

IUPAC(2S)-2-acetamido-4-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]pentanamide
SMILESCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)C(C)C
InChIInChI=1S/C13H24N2O3/c1-8(2)6-11(14-10(5)17)13(18)15-12(7-16)9(3)4/h7-9,11-12H,6H2,1-5H3,(H,14,17)(H,15,18)/t11-,12+/m0/s1
InChIKeyFCSVBIFJBYWEQD-NWDGAFQWSA-N
MW256.35 g/mol
LogP0.88
Rot. Bonds7

About (2S)-2-acetamido-4-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]pentanamide

(2S)-2-acetamido-4-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]pentanamide (PubChem CID 10038050) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is (2S)-2-acetamido-4-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]pentanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-4-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]pentanamide
PubChem CID10038050
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name(2S)-2-acetamido-4-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]pentanamide
SMILESCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)C(C)C
InChIInChI=1S/C13H24N2O3/c1-8(2)6-11(14-10(5)17)13(18)15-12(7-16)9(3)4/h7-9,11-12H,6H2,1-5H3,(H,14,17)(H,15,18)/t11-,12+/m0/s1
InChIKeyFCSVBIFJBYWEQD-NWDGAFQWSA-N
XLogP0.88
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-acetamido-4-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]pentanamide 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-acetamido-4-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]pentanamide?
The IUPAC name of (2S)-2-acetamido-4-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]pentanamide (CID 10038050) is (2S)-2-acetamido-4-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]pentanamide.
What is the SMILES notation for (2S)-2-acetamido-4-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]pentanamide?
The canonical SMILES for (2S)-2-acetamido-4-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]pentanamide is CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)C(C)C.
What is the InChIKey of (2S)-2-acetamido-4-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]pentanamide?
The InChIKey is FCSVBIFJBYWEQD-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-8(2)6-11(14-10(5)17)13(18)15-12(7-16)9(3)4/h7-9,11-12H,6H2,1-5H3,(H,14,17)(H,15,18)/t11-,12+/m0/s1.
What are the key properties of (2S)-2-acetamido-4-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]pentanamide?
(2S)-2-acetamido-4-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]pentanamide has a molecular weight of 256.35 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-4-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]pentanamide is sourced from PubChem (CID 10038050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).