N-(1-hydroxypentan-3-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide

C13H24N2O4 — CID 115767487

IUPACN-(1-hydroxypentan-3-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCC(CCO)NC(=O)C1CC(=O)N(CCOC)C1
InChIInChI=1S/C13H24N2O4/c1-3-11(4-6-16)14-13(18)10-8-12(17)15(9-10)5-7-19-2/h10-11,16H,3-9H2,1-2H3,(H,14,18)
InChIKeyGSNAUVRZKKNUOR-UHFFFAOYSA-N
MW272.34 g/mol
LogP-0.24
Rot. Bonds8

About N-(1-hydroxypentan-3-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide

N-(1-hydroxypentan-3-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 115767487) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is N-(1-hydroxypentan-3-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypentan-3-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID115767487
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC NameN-(1-hydroxypentan-3-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCC(CCO)NC(=O)C1CC(=O)N(CCOC)C1
InChIInChI=1S/C13H24N2O4/c1-3-11(4-6-16)14-13(18)10-8-12(17)15(9-10)5-7-19-2/h10-11,16H,3-9H2,1-2H3,(H,14,18)
InChIKeyGSNAUVRZKKNUOR-UHFFFAOYSA-N
XLogP-0.24
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 92919690
(2S)-3-hydroxy-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 61153649
(2S)-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 61155168
N-[2-(2-hydroxyethoxy)ethyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 55024342
(3S)-N-tert-butyl-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 94046054
4-amino-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-oxobutanoic acid
CID 43357177
(2S)-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylsulfanylbutanoic acid
CID 61152983
2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylsulfanylbutanoic acid
CID 43353501
N-[3-(aminomethyl)pentan-3-yl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119568769
(3R)-1-benzyl-N-[(2R)-1-methoxybutan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 95632586
(3S)-1-butyl-N-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9399021
N-(2-hydroxy-3-methylbutyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 115744579

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypentan-3-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(1-hydroxypentan-3-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide (CID 115767487) is N-(1-hydroxypentan-3-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxypentan-3-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-hydroxypentan-3-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide is CCC(CCO)NC(=O)C1CC(=O)N(CCOC)C1.
What is the InChIKey of N-(1-hydroxypentan-3-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GSNAUVRZKKNUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-3-11(4-6-16)14-13(18)10-8-12(17)15(9-10)5-7-19-2/h10-11,16H,3-9H2,1-2H3,(H,14,18).
What are the key properties of N-(1-hydroxypentan-3-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
N-(1-hydroxypentan-3-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 272.34 g/mol, XLogP of -0.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypentan-3-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 115767487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).