(E,2S)-2-[(2-hydroxyacetyl)amino]-N-methylhept-4-enamide

C10H18N2O3 — CID 89064198

IUPAC(E,2S)-2-[(2-hydroxyacetyl)amino]-N-methylhept-4-enamide
SMILESCC/C=C/C[C@H](NC(=O)CO)C(=O)NC
InChIInChI=1S/C10H18N2O3/c1-3-4-5-6-8(10(15)11-2)12-9(14)7-13/h4-5,8,13H,3,6-7H2,1-2H3,(H,11,15)(H,12,14)/b5-4+/t8-/m0/s1
InChIKeyHUQZJCZXIZEBIN-ZJELKQJVSA-N
MW214.26 g/mol
LogP-0.43
Rot. Bonds6

About (E,2S)-2-[(2-hydroxyacetyl)amino]-N-methylhept-4-enamide

(E,2S)-2-[(2-hydroxyacetyl)amino]-N-methylhept-4-enamide (PubChem CID 89064198) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is (E,2S)-2-[(2-hydroxyacetyl)amino]-N-methylhept-4-enamide.

Molecular Properties

Compound Name(E,2S)-2-[(2-hydroxyacetyl)amino]-N-methylhept-4-enamide
PubChem CID89064198
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name(E,2S)-2-[(2-hydroxyacetyl)amino]-N-methylhept-4-enamide
SMILESCC/C=C/C[C@H](NC(=O)CO)C(=O)NC
InChIInChI=1S/C10H18N2O3/c1-3-4-5-6-8(10(15)11-2)12-9(14)7-13/h4-5,8,13H,3,6-7H2,1-2H3,(H,11,15)(H,12,14)/b5-4+/t8-/m0/s1
InChIKeyHUQZJCZXIZEBIN-ZJELKQJVSA-N
XLogP-0.43
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,2S)-2-[(2-hydroxyacetyl)amino]-N-methylhept-4-enamide?
The IUPAC name of (E,2S)-2-[(2-hydroxyacetyl)amino]-N-methylhept-4-enamide (CID 89064198) is (E,2S)-2-[(2-hydroxyacetyl)amino]-N-methylhept-4-enamide.
What is the SMILES notation for (E,2S)-2-[(2-hydroxyacetyl)amino]-N-methylhept-4-enamide?
The canonical SMILES for (E,2S)-2-[(2-hydroxyacetyl)amino]-N-methylhept-4-enamide is CC/C=C/C[C@H](NC(=O)CO)C(=O)NC.
What is the InChIKey of (E,2S)-2-[(2-hydroxyacetyl)amino]-N-methylhept-4-enamide?
The InChIKey is HUQZJCZXIZEBIN-ZJELKQJVSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-3-4-5-6-8(10(15)11-2)12-9(14)7-13/h4-5,8,13H,3,6-7H2,1-2H3,(H,11,15)(H,12,14)/b5-4+/t8-/m0/s1.
What are the key properties of (E,2S)-2-[(2-hydroxyacetyl)amino]-N-methylhept-4-enamide?
(E,2S)-2-[(2-hydroxyacetyl)amino]-N-methylhept-4-enamide has a molecular weight of 214.26 g/mol, XLogP of -0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-2-[(2-hydroxyacetyl)amino]-N-methylhept-4-enamide is sourced from PubChem (CID 89064198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).