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

C13H24N2O3 — CID 9399021

IUPAC(3S)-1-butyl-N-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1C[C@@H](C(=O)N[C@H](C)COC)CC1=O
InChIInChI=1S/C13H24N2O3/c1-4-5-6-15-8-11(7-12(15)16)13(17)14-10(2)9-18-3/h10-11H,4-9H2,1-3H3,(H,14,17)/t10-,11+/m1/s1
InChIKeyFJRPEAQCDRVUQA-MNOVXSKESA-N
MW256.35 g/mol
LogP0.79
Rot. Bonds7

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

(3S)-1-butyl-N-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 9399021) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is (3S)-1-butyl-N-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-butyl-N-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID9399021
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name(3S)-1-butyl-N-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1C[C@@H](C(=O)N[C@H](C)COC)CC1=O
InChIInChI=1S/C13H24N2O3/c1-4-5-6-15-8-11(7-12(15)16)13(17)14-10(2)9-18-3/h10-11H,4-9H2,1-3H3,(H,14,17)/t10-,11+/m1/s1
InChIKeyFJRPEAQCDRVUQA-MNOVXSKESA-N
XLogP0.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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)-6-methylheptan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9399278
1-butyl-N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17153589
methyl (3R)-1-butyl-5-oxopyrrolidine-3-carboxylate
CID 94069422
methyl 2-[[(3S)-1-butyl-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 9398138
N,1-dibutyl-5-oxopyrrolidine-3-carboxamide
CID 17082476
(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-[(2S)-pentan-2-yl]pyrrolidine-3-carboxamide
CID 9365235
(2S)-2-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 92919690
(3S)-N-benzhydryl-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9398236
(3R)-N-[(2R)-1-methoxypropan-2-yl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 95129903
(3S)-1-butyl-N-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 9399516
1-heptyl-5-oxopyrrolidine-3-carbohydrazide
CID 54792515

Frequently Asked Questions

What is the IUPAC name of (3S)-1-butyl-N-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-butyl-N-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide (CID 9399021) is (3S)-1-butyl-N-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-butyl-N-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-butyl-N-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide is CCCCN1C[C@@H](C(=O)N[C@H](C)COC)CC1=O.
What is the InChIKey of (3S)-1-butyl-N-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FJRPEAQCDRVUQA-MNOVXSKESA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-5-6-15-8-11(7-12(15)16)13(17)14-10(2)9-18-3/h10-11H,4-9H2,1-3H3,(H,14,17)/t10-,11+/m1/s1.
What are the key properties of (3S)-1-butyl-N-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-butyl-N-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 0.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-butyl-N-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9399021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).