N-(3-hydroxy-2-oxopropyl)-4-methyl-2-(2-oxo-2-pyrrolidin-2-ylethyl)pentanamide

C15H26N2O4 — CID 58319605

IUPACN-(3-hydroxy-2-oxopropyl)-4-methyl-2-(2-oxo-2-pyrrolidin-2-ylethyl)pentanamide
SMILESCC(C)CC(CC(=O)C1CCCN1)C(=O)NCC(=O)CO
InChIInChI=1S/C15H26N2O4/c1-10(2)6-11(15(21)17-8-12(19)9-18)7-14(20)13-4-3-5-16-13/h10-11,13,16,18H,3-9H2,1-2H3,(H,17,21)
InChIKeyOAUDWMRGVBYGKM-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.04
Rot. Bonds9

About N-(3-hydroxy-2-oxopropyl)-4-methyl-2-(2-oxo-2-pyrrolidin-2-ylethyl)pentanamide

N-(3-hydroxy-2-oxopropyl)-4-methyl-2-(2-oxo-2-pyrrolidin-2-ylethyl)pentanamide (PubChem CID 58319605) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is N-(3-hydroxy-2-oxopropyl)-4-methyl-2-(2-oxo-2-pyrrolidin-2-ylethyl)pentanamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-oxopropyl)-4-methyl-2-(2-oxo-2-pyrrolidin-2-ylethyl)pentanamide
PubChem CID58319605
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC NameN-(3-hydroxy-2-oxopropyl)-4-methyl-2-(2-oxo-2-pyrrolidin-2-ylethyl)pentanamide
SMILESCC(C)CC(CC(=O)C1CCCN1)C(=O)NCC(=O)CO
InChIInChI=1S/C15H26N2O4/c1-10(2)6-11(15(21)17-8-12(19)9-18)7-14(20)13-4-3-5-16-13/h10-11,13,16,18H,3-9H2,1-2H3,(H,17,21)
InChIKeyOAUDWMRGVBYGKM-UHFFFAOYSA-N
XLogP0.04
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[(1S)-1-cyano-2-[(1S)-2-oxocyclohexyl]ethyl]-4-methyl-2-(2-oxo-2-pyrrolidin-2-ylethyl)pentanamide
CID 165078541
(2R)-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
CID 51387302
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)(15N)amino]-4-methyl-1-oxo(113C)pentan-2-yl]pyrrolidine-2-carboxamide
CID 10266003
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-N-methylpyrrolidine-2-carboxamide
CID 22797057
N-(1-hydroxy-4-methylpentan-2-yl)pyrrolidine-2-carboxamide
CID 61246606
cyclohexylmethyl-dihydroxy-[3-[[(2S)-3-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]-2-oxopropyl]phosphanium
CID 91360513
(2S)-N-methyl-N-[(2S)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
CID 22803642
2-[2-(pyrrolidine-2-carbonylamino)propanoylamino]acetic acid
CID 18223425
(2R)-2-[2-[(2S)-1-[(5S)-5-[[(2R)-5-[[(2R,5S)-8-amino-2-(2-methylpropyl)-4,8-dioxo-5-[[4-oxo-4-[(2S)-pyrrolidin-2-yl]butanoyl]amino]octanoyl]amino]-2-(2-methylpropyl)-4-oxopentanoyl]amino]-4-oxohexanoyl]pyrrolidin-2-yl]-2-oxoethyl]heptanoic acid
CID 158813493
(2S)-N-[2-(2-methylpropanoylamino)ethyl]pyrrolidine-2-carboxamide
CID 61249248
(2S)-N-[2-(2-methylpropylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 103796173
(2R)-N-(2-hydroxy-4-methylpentyl)piperidine-2-carboxamide
CID 103812099

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-oxopropyl)-4-methyl-2-(2-oxo-2-pyrrolidin-2-ylethyl)pentanamide?
The IUPAC name of N-(3-hydroxy-2-oxopropyl)-4-methyl-2-(2-oxo-2-pyrrolidin-2-ylethyl)pentanamide (CID 58319605) is N-(3-hydroxy-2-oxopropyl)-4-methyl-2-(2-oxo-2-pyrrolidin-2-ylethyl)pentanamide.
What is the SMILES notation for N-(3-hydroxy-2-oxopropyl)-4-methyl-2-(2-oxo-2-pyrrolidin-2-ylethyl)pentanamide?
The canonical SMILES for N-(3-hydroxy-2-oxopropyl)-4-methyl-2-(2-oxo-2-pyrrolidin-2-ylethyl)pentanamide is CC(C)CC(CC(=O)C1CCCN1)C(=O)NCC(=O)CO.
What is the InChIKey of N-(3-hydroxy-2-oxopropyl)-4-methyl-2-(2-oxo-2-pyrrolidin-2-ylethyl)pentanamide?
The InChIKey is OAUDWMRGVBYGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-10(2)6-11(15(21)17-8-12(19)9-18)7-14(20)13-4-3-5-16-13/h10-11,13,16,18H,3-9H2,1-2H3,(H,17,21).
What are the key properties of N-(3-hydroxy-2-oxopropyl)-4-methyl-2-(2-oxo-2-pyrrolidin-2-ylethyl)pentanamide?
N-(3-hydroxy-2-oxopropyl)-4-methyl-2-(2-oxo-2-pyrrolidin-2-ylethyl)pentanamide has a molecular weight of 298.38 g/mol, XLogP of 0.04, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-oxopropyl)-4-methyl-2-(2-oxo-2-pyrrolidin-2-ylethyl)pentanamide is sourced from PubChem (CID 58319605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).