(2S)-1-methyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide

C11H22N2O — CID 139684981

IUPAC(2S)-1-methyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide
SMILESCC(C)CCNC(=O)[C@@H]1CCCN1C
InChIInChI=1S/C11H22N2O/c1-9(2)6-7-12-11(14)10-5-4-8-13(10)3/h9-10H,4-8H2,1-3H3,(H,12,14)/t10-/m0/s1
InChIKeyALYPWKOZVDBVMJ-JTQLQIEISA-N
MW198.31 g/mol
LogP1.24
Rot. Bonds4

About (2S)-1-methyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide

(2S)-1-methyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide (PubChem CID 139684981) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (2S)-1-methyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-methyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide
PubChem CID139684981
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(2S)-1-methyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide
SMILESCC(C)CCNC(=O)[C@@H]1CCCN1C
InChIInChI=1S/C11H22N2O/c1-9(2)6-7-12-11(14)10-5-4-8-13(10)3/h9-10H,4-8H2,1-3H3,(H,12,14)/t10-/m0/s1
InChIKeyALYPWKOZVDBVMJ-JTQLQIEISA-N
XLogP1.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

N-[2-(dimethylamino)ethyl]-1-methylpyrrolidine-2-carboxamide;ethane
CID 143685494
N-(3-hydroxy-3-methylbutyl)-1-methylpyrrolidine-2-carboxamide
CID 130257130
N-butyl-1-methylpyrrolidine-2-carboxamide;ethane;formaldehyde
CID 142213067
tert-butyl (2R)-2-(3-methylbutylcarbamoyl)pyrrolidine-1-carboxylate
CID 70050480
tert-butyl 2-(3-methylbutylcarbamoyl)pyrrolidine-1-carboxylate
CID 57153522
1-methyl-N-pent-4-ynylpyrrolidine-2-carboxamide
CID 143354246
4-[(1-methylpiperidine-2-carbonyl)amino]butanoic acid
CID 110837340
(2S)-1-(3-methylbutylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 28510076
(2S)-1-methyl-N-[(2S)-3-methylbutan-2-yl]pyrrolidine-2-carboxamide
CID 54565310
(2R)-N-[3-[(1S,2R)-2-hydroxycyclohexyl]propyl]-1-methylpyrrolidine-2-carboxamide
CID 124857791
1-(4-chlorophenyl)sulfonyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide
CID 3219681
(2R)-1-(4-fluorophenyl)sulfonyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide
CID 30805011

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-methyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide (CID 139684981) is (2S)-1-methyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-methyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-methyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide is CC(C)CCNC(=O)[C@@H]1CCCN1C.
What is the InChIKey of (2S)-1-methyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide?
The InChIKey is ALYPWKOZVDBVMJ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(2)6-7-12-11(14)10-5-4-8-13(10)3/h9-10H,4-8H2,1-3H3,(H,12,14)/t10-/m0/s1.
What are the key properties of (2S)-1-methyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide?
(2S)-1-methyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide has a molecular weight of 198.31 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 139684981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).