(2S)-1-methyl-N-pentan-3-ylpyrrolidine-2-carboxamide;(2S)-1-methylpyrrolidine-2-carboxamide

C17H34N4O2 — CID 158518275

IUPAC(2S)-1-methyl-N-pentan-3-ylpyrrolidine-2-carboxamide;(2S)-1-methylpyrrolidine-2-carboxamide
SMILESCCC(CC)NC(=O)[C@@H]1CCCN1C.CN1CCC[C@H]1C(N)=O
InChIInChI=1S/C11H22N2O.C6H12N2O/c1-4-9(5-2)12-11(14)10-7-6-8-13(10)3;1-8-4-2-3-5(8)6(7)9/h9-10H,4-8H2,1-3H3,(H,12,14);5H,2-4H2,1H3,(H2,7,9)/t10-;5-/m00/s1
InChIKeyHLWYRTZLKNTBLQ-PTKYJSHISA-N
MW326.49 g/mol
LogP0.95
Rot. Bonds5

About (2S)-1-methyl-N-pentan-3-ylpyrrolidine-2-carboxamide;(2S)-1-methylpyrrolidine-2-carboxamide

(2S)-1-methyl-N-pentan-3-ylpyrrolidine-2-carboxamide;(2S)-1-methylpyrrolidine-2-carboxamide (PubChem CID 158518275) has the molecular formula C17H34N4O2 and a molecular weight of 326.49 g/mol. Its IUPAC name is (2S)-1-methyl-N-pentan-3-ylpyrrolidine-2-carboxamide;(2S)-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-methyl-N-pentan-3-ylpyrrolidine-2-carboxamide;(2S)-1-methylpyrrolidine-2-carboxamide
PubChem CID158518275
Molecular FormulaC17H34N4O2
Molecular Weight326.49 g/mol
Exact Mass326.27
IUPAC Name(2S)-1-methyl-N-pentan-3-ylpyrrolidine-2-carboxamide;(2S)-1-methylpyrrolidine-2-carboxamide
SMILESCCC(CC)NC(=O)[C@@H]1CCCN1C.CN1CCC[C@H]1C(N)=O
InChIInChI=1S/C11H22N2O.C6H12N2O/c1-4-9(5-2)12-11(14)10-7-6-8-13(10)3;1-8-4-2-3-5(8)6(7)9/h9-10H,4-8H2,1-3H3,(H,12,14);5H,2-4H2,1H3,(H2,7,9)/t10-;5-/m00/s1
InChIKeyHLWYRTZLKNTBLQ-PTKYJSHISA-N
XLogP0.95
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-methylpyrrolidine-2-carboxamide
CID 14245857
1-methylpyrrolidine-2-carboxamide;hydrochloride
CID 66716063
1-methylsulfonyl-N-pentan-3-ylpyrrolidine-2-carboxamide
CID 134050674
ethane;1-methylpiperidine-2-carboxamide
CID 143592848
(2S)-1-methyl-N-[(2S)-3-methylbutan-2-yl]pyrrolidine-2-carboxamide
CID 54565310
(2S)-1-methylpyrrolidine-2-carbohydrazide
CID 12522151
(2R)-1-methyl-N-[(3S)-4-methyl-2-oxohexan-3-yl]piperidine-2-carboxamide
CID 90175661
N-(1-amino-5-cyclobutyl-1,2-dioxopentan-3-yl)-1-methylpyrrolidine-2-carboxamide
CID 143358728
1-methyl-N-(2-oxoheptan-3-yl)pyrrolidine-2-carboxamide
CID 143358047
(2S)-1-methylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 68577881
2-amino-1-(1-methylpyrrolidin-2-yl)ethanone
CID 83479164
3-[(1-methylpyrrolidine-2-carbonyl)amino]-4-(2,3,4,5,6-pentafluorophenyl)butanoic acid
CID 170597362

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-N-pentan-3-ylpyrrolidine-2-carboxamide;(2S)-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-methyl-N-pentan-3-ylpyrrolidine-2-carboxamide;(2S)-1-methylpyrrolidine-2-carboxamide (CID 158518275) is (2S)-1-methyl-N-pentan-3-ylpyrrolidine-2-carboxamide;(2S)-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-methyl-N-pentan-3-ylpyrrolidine-2-carboxamide;(2S)-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-methyl-N-pentan-3-ylpyrrolidine-2-carboxamide;(2S)-1-methylpyrrolidine-2-carboxamide is CCC(CC)NC(=O)[C@@H]1CCCN1C.CN1CCC[C@H]1C(N)=O.
What is the InChIKey of (2S)-1-methyl-N-pentan-3-ylpyrrolidine-2-carboxamide;(2S)-1-methylpyrrolidine-2-carboxamide?
The InChIKey is HLWYRTZLKNTBLQ-PTKYJSHISA-N. The full InChI is InChI=1S/C11H22N2O.C6H12N2O/c1-4-9(5-2)12-11(14)10-7-6-8-13(10)3;1-8-4-2-3-5(8)6(7)9/h9-10H,4-8H2,1-3H3,(H,12,14);5H,2-4H2,1H3,(H2,7,9)/t10-;5-/m00/s1.
What are the key properties of (2S)-1-methyl-N-pentan-3-ylpyrrolidine-2-carboxamide;(2S)-1-methylpyrrolidine-2-carboxamide?
(2S)-1-methyl-N-pentan-3-ylpyrrolidine-2-carboxamide;(2S)-1-methylpyrrolidine-2-carboxamide has a molecular weight of 326.49 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-N-pentan-3-ylpyrrolidine-2-carboxamide;(2S)-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 158518275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).