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

C13H24N2O2 — CID 9398572

IUPAC(3S)-N-[(2R)-butan-2-yl]-1-butyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1C[C@@H](C(=O)N[C@H](C)CC)CC1=O
InChIInChI=1S/C13H24N2O2/c1-4-6-7-15-9-11(8-12(15)16)13(17)14-10(3)5-2/h10-11H,4-9H2,1-3H3,(H,14,17)/t10-,11+/m1/s1
InChIKeyGFUBIJNCLRUKGU-MNOVXSKESA-N
MW240.35 g/mol
LogP1.55
Rot. Bonds6

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

(3S)-N-[(2R)-butan-2-yl]-1-butyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 9398572) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (3S)-N-[(2R)-butan-2-yl]-1-butyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2R)-butan-2-yl]-1-butyl-5-oxopyrrolidine-3-carboxamide
PubChem CID9398572
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(3S)-N-[(2R)-butan-2-yl]-1-butyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1C[C@@H](C(=O)N[C@H](C)CC)CC1=O
InChIInChI=1S/C13H24N2O2/c1-4-6-7-15-9-11(8-12(15)16)13(17)14-10(3)5-2/h10-11H,4-9H2,1-3H3,(H,14,17)/t10-,11+/m1/s1
InChIKeyGFUBIJNCLRUKGU-MNOVXSKESA-N
XLogP1.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-butyl-N-[(2R)-6-methylheptan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9399278
(3S)-1-butyl-N-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9399021
N-[4-(butan-2-ylcarbamoyl)phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 17153541
N,1-dibutyl-5-oxopyrrolidine-3-carboxamide
CID 17082476
(3S)-N-benzhydryl-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9398236
(3S)-1-benzyl-N-[(2R)-butan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 34269419
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,1-didodecyl-5-oxopyrrolidine-3-carboxamide
CID 66680655
methyl 2-[[(3S)-1-butyl-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 9398138
sodium 1-butyl-5-oxopyrrolidine-3-carboxylate
CID 23662544

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2R)-butan-2-yl]-1-butyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[(2R)-butan-2-yl]-1-butyl-5-oxopyrrolidine-3-carboxamide (CID 9398572) is (3S)-N-[(2R)-butan-2-yl]-1-butyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2R)-butan-2-yl]-1-butyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(2R)-butan-2-yl]-1-butyl-5-oxopyrrolidine-3-carboxamide is CCCCN1C[C@@H](C(=O)N[C@H](C)CC)CC1=O.
What is the InChIKey of (3S)-N-[(2R)-butan-2-yl]-1-butyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GFUBIJNCLRUKGU-MNOVXSKESA-N. The full InChI is InChI=1S/C13H24N2O2/c1-4-6-7-15-9-11(8-12(15)16)13(17)14-10(3)5-2/h10-11H,4-9H2,1-3H3,(H,14,17)/t10-,11+/m1/s1.
What are the key properties of (3S)-N-[(2R)-butan-2-yl]-1-butyl-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[(2R)-butan-2-yl]-1-butyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2R)-butan-2-yl]-1-butyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9398572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).