(3R)-1-butyl-5-oxo-N-(2,4,4-trimethylpentan-2-yl)pyrrolidine-3-carboxamide

C17H32N2O2 — CID 9399795

IUPAC(3R)-1-butyl-5-oxo-N-(2,4,4-trimethylpentan-2-yl)pyrrolidine-3-carboxamide
SMILESCCCCN1C[C@H](C(=O)NC(C)(C)CC(C)(C)C)CC1=O
InChIInChI=1S/C17H32N2O2/c1-7-8-9-19-11-13(10-14(19)20)15(21)18-17(5,6)12-16(2,3)4/h13H,7-12H2,1-6H3,(H,18,21)/t13-/m1/s1
InChIKeyMFQIVGBSHJZJFL-CYBMUJFWSA-N
MW296.46 g/mol
LogP2.97
Rot. Bonds6

About (3R)-1-butyl-5-oxo-N-(2,4,4-trimethylpentan-2-yl)pyrrolidine-3-carboxamide

(3R)-1-butyl-5-oxo-N-(2,4,4-trimethylpentan-2-yl)pyrrolidine-3-carboxamide (PubChem CID 9399795) has the molecular formula C17H32N2O2 and a molecular weight of 296.46 g/mol. Its IUPAC name is (3R)-1-butyl-5-oxo-N-(2,4,4-trimethylpentan-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-butyl-5-oxo-N-(2,4,4-trimethylpentan-2-yl)pyrrolidine-3-carboxamide
PubChem CID9399795
Molecular FormulaC17H32N2O2
Molecular Weight296.46 g/mol
Exact Mass296.25
IUPAC Name(3R)-1-butyl-5-oxo-N-(2,4,4-trimethylpentan-2-yl)pyrrolidine-3-carboxamide
SMILESCCCCN1C[C@H](C(=O)NC(C)(C)CC(C)(C)C)CC1=O
InChIInChI=1S/C17H32N2O2/c1-7-8-9-19-11-13(10-14(19)20)15(21)18-17(5,6)12-16(2,3)4/h13H,7-12H2,1-6H3,(H,18,21)/t13-/m1/s1
InChIKeyMFQIVGBSHJZJFL-CYBMUJFWSA-N
XLogP2.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(dimethylamino)propyl]-N-(1-hydroxy-2-methylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 108800222
N,1-dibutyl-5-oxopyrrolidine-3-carboxamide
CID 17082476
methyl 2-[[(3S)-1-butyl-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 9398138
1-heptyl-5-oxopyrrolidine-3-carbohydrazide
CID 54792515
(3S)-1-butyl-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 9399422
(3S)-N-[(2R)-butan-2-yl]-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9398572
methyl (3R)-1-butyl-5-oxopyrrolidine-3-carboxylate
CID 94069422
(3R)-1-butyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 9397964
(3S)-1-butyl-5-oxopyrrolidine-3-carboxylate
CID 7711163
N,1-didodecyl-5-oxopyrrolidine-3-carboxamide
CID 66680655
sodium 1-butyl-5-oxopyrrolidine-3-carboxylate
CID 23662544
(3S)-1-butyl-N-[(2R)-6-methylheptan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9399278

Frequently Asked Questions

What is the IUPAC name of (3R)-1-butyl-5-oxo-N-(2,4,4-trimethylpentan-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-butyl-5-oxo-N-(2,4,4-trimethylpentan-2-yl)pyrrolidine-3-carboxamide (CID 9399795) is (3R)-1-butyl-5-oxo-N-(2,4,4-trimethylpentan-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-butyl-5-oxo-N-(2,4,4-trimethylpentan-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-butyl-5-oxo-N-(2,4,4-trimethylpentan-2-yl)pyrrolidine-3-carboxamide is CCCCN1C[C@H](C(=O)NC(C)(C)CC(C)(C)C)CC1=O.
What is the InChIKey of (3R)-1-butyl-5-oxo-N-(2,4,4-trimethylpentan-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is MFQIVGBSHJZJFL-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-7-8-9-19-11-13(10-14(19)20)15(21)18-17(5,6)12-16(2,3)4/h13H,7-12H2,1-6H3,(H,18,21)/t13-/m1/s1.
What are the key properties of (3R)-1-butyl-5-oxo-N-(2,4,4-trimethylpentan-2-yl)pyrrolidine-3-carboxamide?
(3R)-1-butyl-5-oxo-N-(2,4,4-trimethylpentan-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 296.46 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-butyl-5-oxo-N-(2,4,4-trimethylpentan-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 9399795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).