(2S)-N-but-3-en-2-yl-2-hydroxypropanamide

C7H13NO2 — CID 131182785

IUPAC(2S)-N-but-3-en-2-yl-2-hydroxypropanamide
SMILESC=CC(C)NC(=O)[C@H](C)O
InChIInChI=1S/C7H13NO2/c1-4-5(2)8-7(10)6(3)9/h4-6,9H,1H2,2-3H3,(H,8,10)/t5?,6-/m0/s1
InChIKeyTXGJJVWMGFNEMQ-GDVGLLTNSA-N
MW143.19 g/mol
LogP0.06
Rot. Bonds3

About (2S)-N-but-3-en-2-yl-2-hydroxypropanamide

(2S)-N-but-3-en-2-yl-2-hydroxypropanamide (PubChem CID 131182785) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (2S)-N-but-3-en-2-yl-2-hydroxypropanamide.

Molecular Properties

Compound Name(2S)-N-but-3-en-2-yl-2-hydroxypropanamide
PubChem CID131182785
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(2S)-N-but-3-en-2-yl-2-hydroxypropanamide
SMILESC=CC(C)NC(=O)[C@H](C)O
InChIInChI=1S/C7H13NO2/c1-4-5(2)8-7(10)6(3)9/h4-6,9H,1H2,2-3H3,(H,8,10)/t5?,6-/m0/s1
InChIKeyTXGJJVWMGFNEMQ-GDVGLLTNSA-N
XLogP0.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-N-but-3-en-2-yl-2-hydroxypropanamide 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)-N-but-3-en-2-yl-2-hydroxypropanamide?
The IUPAC name of (2S)-N-but-3-en-2-yl-2-hydroxypropanamide (CID 131182785) is (2S)-N-but-3-en-2-yl-2-hydroxypropanamide.
What is the SMILES notation for (2S)-N-but-3-en-2-yl-2-hydroxypropanamide?
The canonical SMILES for (2S)-N-but-3-en-2-yl-2-hydroxypropanamide is C=CC(C)NC(=O)[C@H](C)O.
What is the InChIKey of (2S)-N-but-3-en-2-yl-2-hydroxypropanamide?
The InChIKey is TXGJJVWMGFNEMQ-GDVGLLTNSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-5(2)8-7(10)6(3)9/h4-6,9H,1H2,2-3H3,(H,8,10)/t5?,6-/m0/s1.
What are the key properties of (2S)-N-but-3-en-2-yl-2-hydroxypropanamide?
(2S)-N-but-3-en-2-yl-2-hydroxypropanamide has a molecular weight of 143.19 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-but-3-en-2-yl-2-hydroxypropanamide is sourced from PubChem (CID 131182785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).