3-amino-N-[(3S)-3-hydroxybutyl]propanamide

C7H16N2O2 — CID 86323935

IUPAC3-amino-N-[(3S)-3-hydroxybutyl]propanamide
SMILESC[C@H](O)CCNC(=O)CCN
InChIInChI=1S/C7H16N2O2/c1-6(10)3-5-9-7(11)2-4-8/h6,10H,2-5,8H2,1H3,(H,9,11)/t6-/m0/s1
InChIKeyNKUIJSPGHOGJKM-LURJTMIESA-N
MW160.22 g/mol
LogP-0.78
Rot. Bonds5

About 3-amino-N-[(3S)-3-hydroxybutyl]propanamide

3-amino-N-[(3S)-3-hydroxybutyl]propanamide (PubChem CID 86323935) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 3-amino-N-[(3S)-3-hydroxybutyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[(3S)-3-hydroxybutyl]propanamide
PubChem CID86323935
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name3-amino-N-[(3S)-3-hydroxybutyl]propanamide
SMILESC[C@H](O)CCNC(=O)CCN
InChIInChI=1S/C7H16N2O2/c1-6(10)3-5-9-7(11)2-4-8/h6,10H,2-5,8H2,1H3,(H,9,11)/t6-/m0/s1
InChIKeyNKUIJSPGHOGJKM-LURJTMIESA-N
XLogP-0.78
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[(3S)-3-hydroxybutyl]propanamide 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

N-(4-aminobutyl)-4-hydroxypentanamide
CID 79203295
5-amino-N-(3-hydroxybutyl)hexanamide
CID 82852052
4-hydroxy-N-(3-methylbutyl)pentanamide
CID 79001671
N-[2-(3-aminopropanoylamino)ethyl]-2-methylpropanamide
CID 61247750
5-bromo-N-(3-hydroxybutyl)pentanamide
CID 107910185
5-hydroxy-N-[4-(5-hydroxyhexanoylamino)butyl]hexanamide
CID 101050420
3-amino-N-(3,3-diphenylpropyl)propanamide
CID 61260173
4-hydroxy-N-(3-hydroxy-4-methoxybutyl)pentanamide
CID 106248553
N-(3-hydroxybutyl)-4-methyl-4-phenylpentanamide
CID 109379708
N-[4-(3-hydroxybutylamino)-4-oxobutyl]benzamide
CID 111433432
2-[1-(aminomethyl)cyclobutyl]-N-(3-hydroxybutyl)acetamide
CID 81168821
4-hydroxy-N-(2-methylsulfonylethyl)pentanamide
CID 79192328

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3S)-3-hydroxybutyl]propanamide?
The IUPAC name of 3-amino-N-[(3S)-3-hydroxybutyl]propanamide (CID 86323935) is 3-amino-N-[(3S)-3-hydroxybutyl]propanamide.
What is the SMILES notation for 3-amino-N-[(3S)-3-hydroxybutyl]propanamide?
The canonical SMILES for 3-amino-N-[(3S)-3-hydroxybutyl]propanamide is C[C@H](O)CCNC(=O)CCN.
What is the InChIKey of 3-amino-N-[(3S)-3-hydroxybutyl]propanamide?
The InChIKey is NKUIJSPGHOGJKM-LURJTMIESA-N. The full InChI is InChI=1S/C7H16N2O2/c1-6(10)3-5-9-7(11)2-4-8/h6,10H,2-5,8H2,1H3,(H,9,11)/t6-/m0/s1.
What are the key properties of 3-amino-N-[(3S)-3-hydroxybutyl]propanamide?
3-amino-N-[(3S)-3-hydroxybutyl]propanamide has a molecular weight of 160.22 g/mol, XLogP of -0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3S)-3-hydroxybutyl]propanamide is sourced from PubChem (CID 86323935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).