(3S)-N-(1-cyclobutylethyl)pyrrolidine-3-carboxamide

C11H20N2O — CID 164655377

IUPAC(3S)-N-(1-cyclobutylethyl)pyrrolidine-3-carboxamide
SMILESCC(NC(=O)[C@H]1CCNC1)C1CCC1
InChIInChI=1S/C11H20N2O/c1-8(9-3-2-4-9)13-11(14)10-5-6-12-7-10/h8-10,12H,2-7H2,1H3,(H,13,14)/t8?,10-/m0/s1
InChIKeyMJVXIJKLSQDIIR-HTLJXXAVSA-N
MW196.29 g/mol
LogP0.90
Rot. Bonds3

About (3S)-N-(1-cyclobutylethyl)pyrrolidine-3-carboxamide

(3S)-N-(1-cyclobutylethyl)pyrrolidine-3-carboxamide (PubChem CID 164655377) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (3S)-N-(1-cyclobutylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(1-cyclobutylethyl)pyrrolidine-3-carboxamide
PubChem CID164655377
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(3S)-N-(1-cyclobutylethyl)pyrrolidine-3-carboxamide
SMILESCC(NC(=O)[C@H]1CCNC1)C1CCC1
InChIInChI=1S/C11H20N2O/c1-8(9-3-2-4-9)13-11(14)10-5-6-12-7-10/h8-10,12H,2-7H2,1H3,(H,13,14)/t8?,10-/m0/s1
InChIKeyMJVXIJKLSQDIIR-HTLJXXAVSA-N
XLogP0.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(1-cyclopropylethyl)piperidine-3-carboxamide
CID 81123770
N-[(1R)-1-cyclohexylethyl]piperidine-4-carboxamide
CID 81385810
N-(3-cyclohexylbutan-2-yl)pyrrolidine-3-carboxamide
CID 119809069
N-(1-piperidin-3-ylethyl)cyclopentanecarboxamide
CID 43523140
N-(1-piperidin-4-ylethyl)cyclooctanecarboxamide
CID 65018639
N-(3-methylbutan-2-yl)pyrrolidine-3-carboxamide
CID 63005391
N-(3-propan-2-ylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119775883
N-(4-propan-2-ylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119812040
N-(5-methylhexan-2-yl)pyrrolidine-3-carboxamide
CID 63005264
(3S)-N-butan-2-ylpyrrolidine-3-carboxamide;hydrochloride
CID 130617096
N-(1-pyrrolidin-3-ylethyl)oxane-4-carboxamide
CID 103977188
N-(4-methylpent-1-yn-3-yl)pyrrolidine-3-carboxamide
CID 130481480

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1-cyclobutylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(1-cyclobutylethyl)pyrrolidine-3-carboxamide (CID 164655377) is (3S)-N-(1-cyclobutylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(1-cyclobutylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(1-cyclobutylethyl)pyrrolidine-3-carboxamide is CC(NC(=O)[C@H]1CCNC1)C1CCC1.
What is the InChIKey of (3S)-N-(1-cyclobutylethyl)pyrrolidine-3-carboxamide?
The InChIKey is MJVXIJKLSQDIIR-HTLJXXAVSA-N. The full InChI is InChI=1S/C11H20N2O/c1-8(9-3-2-4-9)13-11(14)10-5-6-12-7-10/h8-10,12H,2-7H2,1H3,(H,13,14)/t8?,10-/m0/s1.
What are the key properties of (3S)-N-(1-cyclobutylethyl)pyrrolidine-3-carboxamide?
(3S)-N-(1-cyclobutylethyl)pyrrolidine-3-carboxamide has a molecular weight of 196.29 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1-cyclobutylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 164655377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).