(2S)-1-methyl-N-[(2S)-3-methylbutan-2-yl]pyrrolidine-2-carboxamide

C11H22N2O — CID 54565310

IUPAC(2S)-1-methyl-N-[(2S)-3-methylbutan-2-yl]pyrrolidine-2-carboxamide
SMILESCC(C)[C@H](C)NC(=O)[C@@H]1CCCN1C
InChIInChI=1S/C11H22N2O/c1-8(2)9(3)12-11(14)10-6-5-7-13(10)4/h8-10H,5-7H2,1-4H3,(H,12,14)/t9-,10-/m0/s1
InChIKeyZTKCUFSTGXXBGF-UWVGGRQHSA-N
MW198.31 g/mol
LogP1.24
Rot. Bonds3

About (2S)-1-methyl-N-[(2S)-3-methylbutan-2-yl]pyrrolidine-2-carboxamide

(2S)-1-methyl-N-[(2S)-3-methylbutan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 54565310) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (2S)-1-methyl-N-[(2S)-3-methylbutan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-methyl-N-[(2S)-3-methylbutan-2-yl]pyrrolidine-2-carboxamide
PubChem CID54565310
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(2S)-1-methyl-N-[(2S)-3-methylbutan-2-yl]pyrrolidine-2-carboxamide
SMILESCC(C)[C@H](C)NC(=O)[C@@H]1CCCN1C
InChIInChI=1S/C11H22N2O/c1-8(2)9(3)12-11(14)10-6-5-7-13(10)4/h8-10H,5-7H2,1-4H3,(H,12,14)/t9-,10-/m0/s1
InChIKeyZTKCUFSTGXXBGF-UWVGGRQHSA-N
XLogP1.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-methyl-N-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 12739440
(2S)-4-methyl-2-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]pentanoate
CID 169278462
(2S)-1-methylpyrrolidine-2-carbohydrazide
CID 12522151
tert-butyl 2-(3-methylbutan-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 73237927
1-methyl-N-(2-oxoheptan-3-yl)pyrrolidine-2-carboxamide
CID 143358047
2-amino-1-(1-methylpyrrolidin-2-yl)propan-1-one
CID 115012177
(2R)-N-acetyl-1-methylpyrrolidine-2-carboxamide
CID 90115350
(2S)-N-tert-butyl-1-methylpyrrolidine-2-carboxamide;(2S)-N-cycloheptyl-1-methylpyrrolidine-2-carboxamide;(2S)-N-cyclohexyl-1-methylpyrrolidine-2-carboxamide;(2S)-N-cyclooctyl-1-methylpyrrolidine-2-carboxamide;(2S)-N-[(2R)-3,3-dimethylbutan-2-yl]-1-methylpyrrolidine-2-carboxamide;(2S)-N-[(2S)-3,3-dimethylbutan-2-yl]-1-methylpyrrolidine-2-carboxamide;(2S)-1-methyl-N-[(2R)-3-methylbutan-2-yl]pyrrolidine-2-carboxamide;(2S)-1-methyl-N-[(2S)-3-methylbutan-2-yl]pyrrolidine-2-carboxamide;(2S)-1-methyl-N-(2-methylbut-3-en-2-yl)pyrrolidine-2-carboxamide
CID 157060342
3-oxobutan-2-yl 2,4-dimethyl-3-[(1-methylpyrrolidine-2-carbonyl)amino]pentanoate
CID 20657670
(2S)-1-methyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide
CID 139684981
(2S)-1-methyl-N-pentan-3-ylpyrrolidine-2-carboxamide;(2S)-1-methylpyrrolidine-2-carboxamide
CID 158518275
(2R)-N-methoxy-1-methylpyrrolidine-2-carboxamide
CID 87416878

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-N-[(2S)-3-methylbutan-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-methyl-N-[(2S)-3-methylbutan-2-yl]pyrrolidine-2-carboxamide (CID 54565310) is (2S)-1-methyl-N-[(2S)-3-methylbutan-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-methyl-N-[(2S)-3-methylbutan-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-methyl-N-[(2S)-3-methylbutan-2-yl]pyrrolidine-2-carboxamide is CC(C)[C@H](C)NC(=O)[C@@H]1CCCN1C.
What is the InChIKey of (2S)-1-methyl-N-[(2S)-3-methylbutan-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is ZTKCUFSTGXXBGF-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8(2)9(3)12-11(14)10-6-5-7-13(10)4/h8-10H,5-7H2,1-4H3,(H,12,14)/t9-,10-/m0/s1.
What are the key properties of (2S)-1-methyl-N-[(2S)-3-methylbutan-2-yl]pyrrolidine-2-carboxamide?
(2S)-1-methyl-N-[(2S)-3-methylbutan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 198.31 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-N-[(2S)-3-methylbutan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 54565310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).