(2S)-2-amino-N-hexan-3-ylpentanamide

C11H24N2O — CID 107569552

IUPAC(2S)-2-amino-N-hexan-3-ylpentanamide
SMILESCCCC(CC)NC(=O)[C@@H](N)CCC
InChIInChI=1S/C11H24N2O/c1-4-7-9(6-3)13-11(14)10(12)8-5-2/h9-10H,4-8,12H2,1-3H3,(H,13,14)/t9?,10-/m0/s1
InChIKeyORERVNGEWSMWFP-AXDSSHIGSA-N
MW200.33 g/mol
LogP1.81
Rot. Bonds7

About (2S)-2-amino-N-hexan-3-ylpentanamide

(2S)-2-amino-N-hexan-3-ylpentanamide (PubChem CID 107569552) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is (2S)-2-amino-N-hexan-3-ylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-hexan-3-ylpentanamide
PubChem CID107569552
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name(2S)-2-amino-N-hexan-3-ylpentanamide
SMILESCCCC(CC)NC(=O)[C@@H](N)CCC
InChIInChI=1S/C11H24N2O/c1-4-7-9(6-3)13-11(14)10(12)8-5-2/h9-10H,4-8,12H2,1-3H3,(H,13,14)/t9?,10-/m0/s1
InChIKeyORERVNGEWSMWFP-AXDSSHIGSA-N
XLogP1.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-N-hexan-3-ylpentanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-amino-N-[(2S)-1-hydroxybutan-2-yl]pentanamide
CID 107222375
(2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]pentanamide
CID 107571000
(2R)-2-amino-N-octan-4-ylpentanamide
CID 103797903
(2R)-2-amino-N-octan-4-ylbutanamide
CID 104878219
(2S)-2-amino-N-(1-hydroxybutan-2-yl)hexanamide
CID 107143870
(3S)-3-amino-4-(6-hydroxyhexan-3-ylamino)-4-oxobutanoic acid
CID 87235312
3-[[(2R)-2-aminopentanoyl]amino]-5,5-dimethylhexanoic acid
CID 107570673
(2S)-2-amino-N-(1-methoxypentan-2-yl)butanamide
CID 79023147
2-amino-N-(3-methylbutan-2-yl)pentanamide
CID 43650228
2-amino-N-octan-4-ylbutanediamide
CID 113288677
diethyl 2-(2-aminopentanoylamino)propanedioate
CID 119275264
3-amino-4-[[(2S)-1-hydroxybutan-2-yl]amino]-4-oxobutanoic acid
CID 107222531

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-hexan-3-ylpentanamide?
The IUPAC name of (2S)-2-amino-N-hexan-3-ylpentanamide (CID 107569552) is (2S)-2-amino-N-hexan-3-ylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-hexan-3-ylpentanamide?
The canonical SMILES for (2S)-2-amino-N-hexan-3-ylpentanamide is CCCC(CC)NC(=O)[C@@H](N)CCC.
What is the InChIKey of (2S)-2-amino-N-hexan-3-ylpentanamide?
The InChIKey is ORERVNGEWSMWFP-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H24N2O/c1-4-7-9(6-3)13-11(14)10(12)8-5-2/h9-10H,4-8,12H2,1-3H3,(H,13,14)/t9?,10-/m0/s1.
What are the key properties of (2S)-2-amino-N-hexan-3-ylpentanamide?
(2S)-2-amino-N-hexan-3-ylpentanamide has a molecular weight of 200.33 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-hexan-3-ylpentanamide is sourced from PubChem (CID 107569552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).