(3S)-1-butyl-N-[(2R)-6-methylheptan-2-yl]-5-oxopyrrolidine-3-carboxamide

C17H32N2O2 — CID 9399278

IUPAC(3S)-1-butyl-N-[(2R)-6-methylheptan-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1C[C@@H](C(=O)N[C@H](C)CCCC(C)C)CC1=O
InChIInChI=1S/C17H32N2O2/c1-5-6-10-19-12-15(11-16(19)20)17(21)18-14(4)9-7-8-13(2)3/h13-15H,5-12H2,1-4H3,(H,18,21)/t14-,15+/m1/s1
InChIKeyRCCOJTBIYSXHBX-CABCVRRESA-N
MW296.45 g/mol
LogP2.97
Rot. Bonds9

About (3S)-1-butyl-N-[(2R)-6-methylheptan-2-yl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-butyl-N-[(2R)-6-methylheptan-2-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 9399278) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is (3S)-1-butyl-N-[(2R)-6-methylheptan-2-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-butyl-N-[(2R)-6-methylheptan-2-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID9399278
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name(3S)-1-butyl-N-[(2R)-6-methylheptan-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1C[C@@H](C(=O)N[C@H](C)CCCC(C)C)CC1=O
InChIInChI=1S/C17H32N2O2/c1-5-6-10-19-12-15(11-16(19)20)17(21)18-14(4)9-7-8-13(2)3/h13-15H,5-12H2,1-4H3,(H,18,21)/t14-,15+/m1/s1
InChIKeyRCCOJTBIYSXHBX-CABCVRRESA-N
XLogP2.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-[(2R)-butan-2-yl]-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9398572
(3S)-1-butyl-N-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9399021
(3S)-1-[2-(4-fluorophenyl)ethyl]-N-[(2S)-6-methylheptan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9374389
N,1-dibutyl-5-oxopyrrolidine-3-carboxamide
CID 17082476
(3S)-N-benzhydryl-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9398236
1-butyl-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 17082660
1-heptyl-5-oxopyrrolidine-3-carbohydrazide
CID 54792515
methyl (3R)-1-butyl-5-oxopyrrolidine-3-carboxylate
CID 94069422
(3S)-1-butyl-5-oxopyrrolidine-3-carboxylate
CID 7711163
N-[4-(butan-2-ylcarbamoyl)phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 17153541
N,1-didodecyl-5-oxopyrrolidine-3-carboxamide
CID 66680655
methyl 2-[[(3S)-1-butyl-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 9398138

Frequently Asked Questions

What is the IUPAC name of (3S)-1-butyl-N-[(2R)-6-methylheptan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-butyl-N-[(2R)-6-methylheptan-2-yl]-5-oxopyrrolidine-3-carboxamide (CID 9399278) is (3S)-1-butyl-N-[(2R)-6-methylheptan-2-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-butyl-N-[(2R)-6-methylheptan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-butyl-N-[(2R)-6-methylheptan-2-yl]-5-oxopyrrolidine-3-carboxamide is CCCCN1C[C@@H](C(=O)N[C@H](C)CCCC(C)C)CC1=O.
What is the InChIKey of (3S)-1-butyl-N-[(2R)-6-methylheptan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RCCOJTBIYSXHBX-CABCVRRESA-N. The full InChI is InChI=1S/C17H32N2O2/c1-5-6-10-19-12-15(11-16(19)20)17(21)18-14(4)9-7-8-13(2)3/h13-15H,5-12H2,1-4H3,(H,18,21)/t14-,15+/m1/s1.
What are the key properties of (3S)-1-butyl-N-[(2R)-6-methylheptan-2-yl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-butyl-N-[(2R)-6-methylheptan-2-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 296.45 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-butyl-N-[(2R)-6-methylheptan-2-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9399278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).