(3S)-N-(2-methylbutan-2-yl)pyrrolidine-3-carboxamide

C10H20N2O — CID 94915342

IUPAC(3S)-N-(2-methylbutan-2-yl)pyrrolidine-3-carboxamide
SMILESCCC(C)(C)NC(=O)[C@H]1CCNC1
InChIInChI=1S/C10H20N2O/c1-4-10(2,3)12-9(13)8-5-6-11-7-8/h8,11H,4-7H2,1-3H3,(H,12,13)/t8-/m0/s1
InChIKeyLORRTHJKGLGYRW-QMMMGPOBSA-N
MW184.28 g/mol
LogP0.90
Rot. Bonds3

About (3S)-N-(2-methylbutan-2-yl)pyrrolidine-3-carboxamide

(3S)-N-(2-methylbutan-2-yl)pyrrolidine-3-carboxamide (PubChem CID 94915342) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is (3S)-N-(2-methylbutan-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-methylbutan-2-yl)pyrrolidine-3-carboxamide
PubChem CID94915342
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name(3S)-N-(2-methylbutan-2-yl)pyrrolidine-3-carboxamide
SMILESCCC(C)(C)NC(=O)[C@H]1CCNC1
InChIInChI=1S/C10H20N2O/c1-4-10(2,3)12-9(13)8-5-6-11-7-8/h8,11H,4-7H2,1-3H3,(H,12,13)/t8-/m0/s1
InChIKeyLORRTHJKGLGYRW-QMMMGPOBSA-N
XLogP0.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(2-methylpentan-2-yl)piperidine-3-carboxamide
CID 104862424
2-methyl-2-(pyrrolidine-3-carbonylamino)propanoic acid
CID 63005212
N-(2-hydroxy-2-methylbutyl)pyrrolidine-3-carboxamide
CID 65106728
N-(1-hydroxy-2-methylpropan-2-yl)piperidine-4-carboxamide;hydrochloride
CID 44890741
2-methyl-2-(piperidine-3-carbonylamino)butanoic acid
CID 79798226
N-(2-amino-2-methylpropyl)pyrrolidine-3-carboxamide
CID 83617629
N-[3-(4-chlorophenyl)pentan-3-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119769495
2-ethyl-2-(piperidine-3-carbonylamino)butanoic acid
CID 79804533
N-[2-(1,3-thiazol-2-yl)butan-2-yl]pyrrolidine-3-carboxamide
CID 119892445
N-ethoxypyrrolidine-3-carboxamide
CID 64974765
N-tert-butylpiperidine-3-carboxamide;hydrochloride
CID 56832046
N-(1,1-diphenylethyl)pyrrolidine-3-carboxamide
CID 119774474

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-methylbutan-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(2-methylbutan-2-yl)pyrrolidine-3-carboxamide (CID 94915342) is (3S)-N-(2-methylbutan-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-methylbutan-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2-methylbutan-2-yl)pyrrolidine-3-carboxamide is CCC(C)(C)NC(=O)[C@H]1CCNC1.
What is the InChIKey of (3S)-N-(2-methylbutan-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is LORRTHJKGLGYRW-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20N2O/c1-4-10(2,3)12-9(13)8-5-6-11-7-8/h8,11H,4-7H2,1-3H3,(H,12,13)/t8-/m0/s1.
What are the key properties of (3S)-N-(2-methylbutan-2-yl)pyrrolidine-3-carboxamide?
(3S)-N-(2-methylbutan-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 184.28 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-(2-methylbutan-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 94915342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).