(2S)-2-[(2-hydroxyacetyl)-methylamino]-N-methylpent-4-enamide

C9H16N2O3 — CID 89101589

IUPAC(2S)-2-[(2-hydroxyacetyl)-methylamino]-N-methylpent-4-enamide
SMILESC=CC[C@@H](C(=O)NC)N(C)C(=O)CO
InChIInChI=1S/C9H16N2O3/c1-4-5-7(9(14)10-2)11(3)8(13)6-12/h4,7,12H,1,5-6H2,2-3H3,(H,10,14)/t7-/m0/s1
InChIKeyDJIREWMZTIKQOV-ZETCQYMHSA-N
MW200.24 g/mol
LogP-0.87
Rot. Bonds5

About (2S)-2-[(2-hydroxyacetyl)-methylamino]-N-methylpent-4-enamide

(2S)-2-[(2-hydroxyacetyl)-methylamino]-N-methylpent-4-enamide (PubChem CID 89101589) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is (2S)-2-[(2-hydroxyacetyl)-methylamino]-N-methylpent-4-enamide.

Molecular Properties

Compound Name(2S)-2-[(2-hydroxyacetyl)-methylamino]-N-methylpent-4-enamide
PubChem CID89101589
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name(2S)-2-[(2-hydroxyacetyl)-methylamino]-N-methylpent-4-enamide
SMILESC=CC[C@@H](C(=O)NC)N(C)C(=O)CO
InChIInChI=1S/C9H16N2O3/c1-4-5-7(9(14)10-2)11(3)8(13)6-12/h4,7,12H,1,5-6H2,2-3H3,(H,10,14)/t7-/m0/s1
InChIKeyDJIREWMZTIKQOV-ZETCQYMHSA-N
XLogP-0.87
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-[(2-hydroxyacetyl)-methylamino]-N-methylpent-4-enamide 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-[(2-hydroxyacetyl)-methylamino]-N-methylpent-4-enamide?
The IUPAC name of (2S)-2-[(2-hydroxyacetyl)-methylamino]-N-methylpent-4-enamide (CID 89101589) is (2S)-2-[(2-hydroxyacetyl)-methylamino]-N-methylpent-4-enamide.
What is the SMILES notation for (2S)-2-[(2-hydroxyacetyl)-methylamino]-N-methylpent-4-enamide?
The canonical SMILES for (2S)-2-[(2-hydroxyacetyl)-methylamino]-N-methylpent-4-enamide is C=CC[C@@H](C(=O)NC)N(C)C(=O)CO.
What is the InChIKey of (2S)-2-[(2-hydroxyacetyl)-methylamino]-N-methylpent-4-enamide?
The InChIKey is DJIREWMZTIKQOV-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-4-5-7(9(14)10-2)11(3)8(13)6-12/h4,7,12H,1,5-6H2,2-3H3,(H,10,14)/t7-/m0/s1.
What are the key properties of (2S)-2-[(2-hydroxyacetyl)-methylamino]-N-methylpent-4-enamide?
(2S)-2-[(2-hydroxyacetyl)-methylamino]-N-methylpent-4-enamide has a molecular weight of 200.24 g/mol, XLogP of -0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-hydroxyacetyl)-methylamino]-N-methylpent-4-enamide is sourced from PubChem (CID 89101589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).