(2R,3S)-N-cyclopentyl-3-cyclopropylaziridine-2-carboxamide

C11H18N2O — CID 170054921

IUPAC(2R,3S)-N-cyclopentyl-3-cyclopropylaziridine-2-carboxamide
SMILESO=C(NC1CCCC1)[C@@H]1N[C@H]1C1CC1
InChIInChI=1S/C11H18N2O/c14-11(12-8-3-1-2-4-8)10-9(13-10)7-5-6-7/h7-10,13H,1-6H2,(H,12,14)/t9-,10+/m0/s1
InChIKeySNMOXQICCSMKIZ-VHSXEESVSA-N
MW194.28 g/mol
LogP0.80
Rot. Bonds3

About (2R,3S)-N-cyclopentyl-3-cyclopropylaziridine-2-carboxamide

(2R,3S)-N-cyclopentyl-3-cyclopropylaziridine-2-carboxamide (PubChem CID 170054921) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (2R,3S)-N-cyclopentyl-3-cyclopropylaziridine-2-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-cyclopentyl-3-cyclopropylaziridine-2-carboxamide
PubChem CID170054921
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(2R,3S)-N-cyclopentyl-3-cyclopropylaziridine-2-carboxamide
SMILESO=C(NC1CCCC1)[C@@H]1N[C@H]1C1CC1
InChIInChI=1S/C11H18N2O/c14-11(12-8-3-1-2-4-8)10-9(13-10)7-5-6-7/h7-10,13H,1-6H2,(H,12,14)/t9-,10+/m0/s1
InChIKeySNMOXQICCSMKIZ-VHSXEESVSA-N
XLogP0.80
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopropyl-N-methylaziridine-2-carboxamide
CID 170982801
N-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66469551
N-cyclopentyltricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103759905
1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201
N-cycloheptylcycloheptanecarboxamide
CID 129091005
N-cyclodecylcyclododecanecarboxamide
CID 135182352
N-cyclopentylcyclobutanecarboxamide
CID 21158774
(1S,3S,5S)-N-cyclopentyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride
CID 131065859
N-cyclohexylaziridine-2-carboxamide
CID 142164432
2-N-cycloheptyl-1-N-cyclopentylcyclopropane-1,2-dicarboxamide
CID 109132055
1-N,2-N-dicyclohexylcyclopropane-1,2-dicarboxamide
CID 109132364
2-(cyclopentylcarbamoyl)cyclohexane-1-carboxylate
CID 4745906

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-cyclopentyl-3-cyclopropylaziridine-2-carboxamide?
The IUPAC name of (2R,3S)-N-cyclopentyl-3-cyclopropylaziridine-2-carboxamide (CID 170054921) is (2R,3S)-N-cyclopentyl-3-cyclopropylaziridine-2-carboxamide.
What is the SMILES notation for (2R,3S)-N-cyclopentyl-3-cyclopropylaziridine-2-carboxamide?
The canonical SMILES for (2R,3S)-N-cyclopentyl-3-cyclopropylaziridine-2-carboxamide is O=C(NC1CCCC1)[C@@H]1N[C@H]1C1CC1.
What is the InChIKey of (2R,3S)-N-cyclopentyl-3-cyclopropylaziridine-2-carboxamide?
The InChIKey is SNMOXQICCSMKIZ-VHSXEESVSA-N. The full InChI is InChI=1S/C11H18N2O/c14-11(12-8-3-1-2-4-8)10-9(13-10)7-5-6-7/h7-10,13H,1-6H2,(H,12,14)/t9-,10+/m0/s1.
What are the key properties of (2R,3S)-N-cyclopentyl-3-cyclopropylaziridine-2-carboxamide?
(2R,3S)-N-cyclopentyl-3-cyclopropylaziridine-2-carboxamide has a molecular weight of 194.28 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-cyclopentyl-3-cyclopropylaziridine-2-carboxamide is sourced from PubChem (CID 170054921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).