(4S)-5-oxo-4-(propan-2-ylamino)hexanamide

C9H18N2O2 — CID 170374158

IUPAC(4S)-5-oxo-4-(propan-2-ylamino)hexanamide
SMILESCC(=O)[C@H](CCC(N)=O)NC(C)C
InChIInChI=1S/C9H18N2O2/c1-6(2)11-8(7(3)12)4-5-9(10)13/h6,8,11H,4-5H2,1-3H3,(H2,10,13)/t8-/m0/s1
InChIKeyWEESEMYFVJLIDV-QMMMGPOBSA-N
MW186.25 g/mol
LogP0.21
Rot. Bonds6

About (4S)-5-oxo-4-(propan-2-ylamino)hexanamide

(4S)-5-oxo-4-(propan-2-ylamino)hexanamide (PubChem CID 170374158) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (4S)-5-oxo-4-(propan-2-ylamino)hexanamide.

Molecular Properties

Compound Name(4S)-5-oxo-4-(propan-2-ylamino)hexanamide
PubChem CID170374158
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(4S)-5-oxo-4-(propan-2-ylamino)hexanamide
SMILESCC(=O)[C@H](CCC(N)=O)NC(C)C
InChIInChI=1S/C9H18N2O2/c1-6(2)11-8(7(3)12)4-5-9(10)13/h6,8,11H,4-5H2,1-3H3,(H2,10,13)/t8-/m0/s1
InChIKeyWEESEMYFVJLIDV-QMMMGPOBSA-N
XLogP0.21
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4S)-5-oxo-4-(propan-2-ylamino)hexanamide 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-methylpentanediamide
CID 19688970
(2R)-2-methylpentanediamide
CID 90202517
2-(propan-2-ylamino)butanediamide
CID 66427979
(4S)-4-(3-aminopropanoylamino)-5-oxohexanamide
CID 88955415
ethane;2-[4-oxo-3-(propan-2-ylamino)pentoxy]guanidine
CID 171650386
N,2-dimethylpentanediamide;ethane
CID 145111022
2-acetamido-5-amino-5-oxopentanoic acid;2,5-diamino-5-oxopentanoic acid
CID 23191188
5-(1-methylazetidin-3-yl)-3-(propan-2-ylamino)pentan-2-one
CID 177155893
N-[(5S)-6-oxo-5-(propan-2-ylamino)heptyl]acetamide
CID 134583654
(4S)-4-amino-5-methylhexanamide
CID 90463437
(2R)-5-amino-2-(4-aminopentanoylamino)-5-oxopentanoic acid
CID 114006011
2-[[4-[(4-acetamido-4-carboxybutanoyl)amino]-4-carboxybutanoyl]amino]-5-amino-5-oxopentanoic acid
CID 123933276

Frequently Asked Questions

What is the IUPAC name of (4S)-5-oxo-4-(propan-2-ylamino)hexanamide?
The IUPAC name of (4S)-5-oxo-4-(propan-2-ylamino)hexanamide (CID 170374158) is (4S)-5-oxo-4-(propan-2-ylamino)hexanamide.
What is the SMILES notation for (4S)-5-oxo-4-(propan-2-ylamino)hexanamide?
The canonical SMILES for (4S)-5-oxo-4-(propan-2-ylamino)hexanamide is CC(=O)[C@H](CCC(N)=O)NC(C)C.
What is the InChIKey of (4S)-5-oxo-4-(propan-2-ylamino)hexanamide?
The InChIKey is WEESEMYFVJLIDV-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-6(2)11-8(7(3)12)4-5-9(10)13/h6,8,11H,4-5H2,1-3H3,(H2,10,13)/t8-/m0/s1.
What are the key properties of (4S)-5-oxo-4-(propan-2-ylamino)hexanamide?
(4S)-5-oxo-4-(propan-2-ylamino)hexanamide has a molecular weight of 186.25 g/mol, XLogP of 0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-oxo-4-(propan-2-ylamino)hexanamide is sourced from PubChem (CID 170374158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).