N-(1-hydroxy-3-methylpentan-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C14H26N2O3 — CID 103946269

IUPACN-(1-hydroxy-3-methylpentan-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCCC(C)(CCO)NC(=O)C1CC(=O)N(C(C)C)C1
InChIInChI=1S/C14H26N2O3/c1-5-14(4,6-7-17)15-13(19)11-8-12(18)16(9-11)10(2)3/h10-11,17H,5-9H2,1-4H3,(H,15,19)
InChIKeyNVRGBBFYMLCKQS-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.91
Rot. Bonds6

About N-(1-hydroxy-3-methylpentan-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

N-(1-hydroxy-3-methylpentan-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 103946269) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylpentan-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylpentan-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID103946269
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC NameN-(1-hydroxy-3-methylpentan-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCCC(C)(CCO)NC(=O)C1CC(=O)N(C(C)C)C1
InChIInChI=1S/C14H26N2O3/c1-5-14(4,6-7-17)15-13(19)11-8-12(18)16(9-11)10(2)3/h10-11,17H,5-9H2,1-4H3,(H,15,19)
InChIKeyNVRGBBFYMLCKQS-UHFFFAOYSA-N
XLogP0.91
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-3-methylpentan-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 103945562
tert-butyl N-[2-methyl-2-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]propyl]carbamate
CID 95285902
N-(1-amino-2,4-dimethylpentan-2-yl)-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide
CID 119599238
N-(5-hydroxypentyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 107318400
2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 43355333
N-(2-ethylbutyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 113232057
2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid
CID 43170550
(2R)-3-hydroxy-2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 80749560
N-(1-amino-2-methylpropan-2-yl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 119522458
2-[[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid
CID 65220584
5-oxo-1-propan-2-yl-N-(2,2,2-trifluoroethoxy)pyrrolidine-3-carboxamide
CID 81343790
(3R)-3-methyl-3-[[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid
CID 124685172

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 103946269) is N-(1-hydroxy-3-methylpentan-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3-methylpentan-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-3-methylpentan-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is CCC(C)(CCO)NC(=O)C1CC(=O)N(C(C)C)C1.
What is the InChIKey of N-(1-hydroxy-3-methylpentan-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is NVRGBBFYMLCKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-14(4,6-7-17)15-13(19)11-8-12(18)16(9-11)10(2)3/h10-11,17H,5-9H2,1-4H3,(H,15,19).
What are the key properties of N-(1-hydroxy-3-methylpentan-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
N-(1-hydroxy-3-methylpentan-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 270.37 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylpentan-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 103946269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).