N-(2-hydroxy-3-methylbutyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide

C13H24N2O4 — CID 115744579

IUPACN-(2-hydroxy-3-methylbutyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCN1CC(C(=O)NCC(O)C(C)C)CC1=O
InChIInChI=1S/C13H24N2O4/c1-9(2)11(16)7-14-13(18)10-6-12(17)15(8-10)4-5-19-3/h9-11,16H,4-8H2,1-3H3,(H,14,18)
InChIKeyBLQGLADUNKIHFY-UHFFFAOYSA-N
MW272.34 g/mol
LogP-0.39
Rot. Bonds7

About N-(2-hydroxy-3-methylbutyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide

N-(2-hydroxy-3-methylbutyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 115744579) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is N-(2-hydroxy-3-methylbutyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methylbutyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID115744579
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC NameN-(2-hydroxy-3-methylbutyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCN1CC(C(=O)NCC(O)C(C)C)CC1=O
InChIInChI=1S/C13H24N2O4/c1-9(2)11(16)7-14-13(18)10-6-12(17)15(8-10)4-5-19-3/h9-11,16H,4-8H2,1-3H3,(H,14,18)
InChIKeyBLQGLADUNKIHFY-UHFFFAOYSA-N
XLogP-0.39
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-4-methylpentyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 103771606
N-[2-(2-hydroxyethoxy)ethyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 55024342
(2S)-2-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 92919690
3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 43354871
N-(2-amino-2-methylpropyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 119625881
(3S)-N-tert-butyl-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 94046054
N-(2-methoxyethyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113182494
(2S)-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 61155168
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 71898014
(2S)-3-hydroxy-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 61153649
(3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylate
CID 7061674
1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 17389931

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methylbutyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-3-methylbutyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide (CID 115744579) is N-(2-hydroxy-3-methylbutyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-methylbutyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-methylbutyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide is COCCN1CC(C(=O)NCC(O)C(C)C)CC1=O.
What is the InChIKey of N-(2-hydroxy-3-methylbutyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BLQGLADUNKIHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-9(2)11(16)7-14-13(18)10-6-12(17)15(8-10)4-5-19-3/h9-11,16H,4-8H2,1-3H3,(H,14,18).
What are the key properties of N-(2-hydroxy-3-methylbutyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
N-(2-hydroxy-3-methylbutyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 272.34 g/mol, XLogP of -0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methylbutyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 115744579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).