(3S)-1-cyclopropyl-N-(3-hydroxy-2,2-dimethylpropyl)-5-oxopyrrolidine-3-carboxamide

C13H22N2O3 — CID 95129510

IUPAC(3S)-1-cyclopropyl-N-(3-hydroxy-2,2-dimethylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(CO)CNC(=O)[C@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C13H22N2O3/c1-13(2,8-16)7-14-12(18)9-5-11(17)15(6-9)10-3-4-10/h9-10,16H,3-8H2,1-2H3,(H,14,18)/t9-/m0/s1
InChIKeyHTBZMEZYJHDQKY-VIFPVBQESA-N
MW254.33 g/mol
LogP0.13
Rot. Bonds5

About (3S)-1-cyclopropyl-N-(3-hydroxy-2,2-dimethylpropyl)-5-oxopyrrolidine-3-carboxamide

(3S)-1-cyclopropyl-N-(3-hydroxy-2,2-dimethylpropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 95129510) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is (3S)-1-cyclopropyl-N-(3-hydroxy-2,2-dimethylpropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-cyclopropyl-N-(3-hydroxy-2,2-dimethylpropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID95129510
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name(3S)-1-cyclopropyl-N-(3-hydroxy-2,2-dimethylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(CO)CNC(=O)[C@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C13H22N2O3/c1-13(2,8-16)7-14-12(18)9-5-11(17)15(6-9)10-3-4-10/h9-10,16H,3-8H2,1-2H3,(H,14,18)/t9-/m0/s1
InChIKeyHTBZMEZYJHDQKY-VIFPVBQESA-N
XLogP0.13
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-N-(2,2-difluoro-3-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 104857444
3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 81369322
1-cyclopropyl-N-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 47022144
1-cyclopropyl-N-[(2R)-2-hydroxypropyl]-5-oxopyrrolidine-3-carboxamide
CID 83032066
1-cyclopropyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 60717522
(3S)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 9364638
N-[2-(furan-2-yl)-2-hydroxypropyl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 111482781
1-cyclopropyl-5-oxo-N-[(E)-pent-3-enyl]pyrrolidine-3-carboxamide
CID 115628313
(3S)-1-cyclopropyl-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 94869872
N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 45351822
1-cyclobutyl-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 110687444
methyl 2-[[(3R)-1-cyclopropyl-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate
CID 95613360

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclopropyl-N-(3-hydroxy-2,2-dimethylpropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-cyclopropyl-N-(3-hydroxy-2,2-dimethylpropyl)-5-oxopyrrolidine-3-carboxamide (CID 95129510) is (3S)-1-cyclopropyl-N-(3-hydroxy-2,2-dimethylpropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-cyclopropyl-N-(3-hydroxy-2,2-dimethylpropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-cyclopropyl-N-(3-hydroxy-2,2-dimethylpropyl)-5-oxopyrrolidine-3-carboxamide is CC(C)(CO)CNC(=O)[C@H]1CC(=O)N(C2CC2)C1.
What is the InChIKey of (3S)-1-cyclopropyl-N-(3-hydroxy-2,2-dimethylpropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HTBZMEZYJHDQKY-VIFPVBQESA-N. The full InChI is InChI=1S/C13H22N2O3/c1-13(2,8-16)7-14-12(18)9-5-11(17)15(6-9)10-3-4-10/h9-10,16H,3-8H2,1-2H3,(H,14,18)/t9-/m0/s1.
What are the key properties of (3S)-1-cyclopropyl-N-(3-hydroxy-2,2-dimethylpropyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-1-cyclopropyl-N-(3-hydroxy-2,2-dimethylpropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclopropyl-N-(3-hydroxy-2,2-dimethylpropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95129510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).