(2R,3S)-N-cyclopropyl-3-propyloxirane-2-carboxamide

C9H15NO2 — CID 42604211

IUPAC(2R,3S)-N-cyclopropyl-3-propyloxirane-2-carboxamide
SMILESCCC[C@@H]1O[C@H]1C(=O)NC1CC1
InChIInChI=1S/C9H15NO2/c1-2-3-7-8(12-7)9(11)10-6-4-5-6/h6-8H,2-5H2,1H3,(H,10,11)/t7-,8+/m0/s1
InChIKeyARDZPNHBMYHPHZ-JGVFFNPUSA-N
MW169.22 g/mol
LogP0.83
Rot. Bonds4

About (2R,3S)-N-cyclopropyl-3-propyloxirane-2-carboxamide

(2R,3S)-N-cyclopropyl-3-propyloxirane-2-carboxamide (PubChem CID 42604211) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (2R,3S)-N-cyclopropyl-3-propyloxirane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-cyclopropyl-3-propyloxirane-2-carboxamide
PubChem CID42604211
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(2R,3S)-N-cyclopropyl-3-propyloxirane-2-carboxamide
SMILESCCC[C@@H]1O[C@H]1C(=O)NC1CC1
InChIInChI=1S/C9H15NO2/c1-2-3-7-8(12-7)9(11)10-6-4-5-6/h6-8H,2-5H2,1H3,(H,10,11)/t7-,8+/m0/s1
InChIKeyARDZPNHBMYHPHZ-JGVFFNPUSA-N
XLogP0.83
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-cyclopropyl-3-propyloxirane-2-carboxamide?
The IUPAC name of (2R,3S)-N-cyclopropyl-3-propyloxirane-2-carboxamide (CID 42604211) is (2R,3S)-N-cyclopropyl-3-propyloxirane-2-carboxamide.
What is the SMILES notation for (2R,3S)-N-cyclopropyl-3-propyloxirane-2-carboxamide?
The canonical SMILES for (2R,3S)-N-cyclopropyl-3-propyloxirane-2-carboxamide is CCC[C@@H]1O[C@H]1C(=O)NC1CC1.
What is the InChIKey of (2R,3S)-N-cyclopropyl-3-propyloxirane-2-carboxamide?
The InChIKey is ARDZPNHBMYHPHZ-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-3-7-8(12-7)9(11)10-6-4-5-6/h6-8H,2-5H2,1H3,(H,10,11)/t7-,8+/m0/s1.
What are the key properties of (2R,3S)-N-cyclopropyl-3-propyloxirane-2-carboxamide?
(2R,3S)-N-cyclopropyl-3-propyloxirane-2-carboxamide has a molecular weight of 169.22 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-cyclopropyl-3-propyloxirane-2-carboxamide is sourced from PubChem (CID 42604211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).