1-(3-hydroxy-4-methoxybutyl)-5-oxopyrrolidine-3-carboxylic acid

C10H17NO5 — CID 106244819

IUPAC1-(3-hydroxy-4-methoxybutyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCOCC(O)CCN1CC(C(=O)O)CC1=O
InChIInChI=1S/C10H17NO5/c1-16-6-8(12)2-3-11-5-7(10(14)15)4-9(11)13/h7-8,12H,2-6H2,1H3,(H,14,15)
InChIKeyYOQNDKWOXAEXBS-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.68
Rot. Bonds6

About 1-(3-hydroxy-4-methoxybutyl)-5-oxopyrrolidine-3-carboxylic acid

1-(3-hydroxy-4-methoxybutyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 106244819) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-(3-hydroxy-4-methoxybutyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-hydroxy-4-methoxybutyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID106244819
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name1-(3-hydroxy-4-methoxybutyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCOCC(O)CCN1CC(C(=O)O)CC1=O
InChIInChI=1S/C10H17NO5/c1-16-6-8(12)2-3-11-5-7(10(14)15)4-9(11)13/h7-8,12H,2-6H2,1H3,(H,14,15)
InChIKeyYOQNDKWOXAEXBS-UHFFFAOYSA-N
XLogP-0.68
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-hydroxy-4-methoxybutyl)-5-oxopyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2-methoxyethoxy)butyl]-5-oxopyrrolidine-3-carboxylic acid
CID 113463677
(3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
CID 7583712
5-oxo-1-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxylic acid
CID 50981461
1-(4-amino-3-methyl-4-oxobutyl)-5-oxopyrrolidine-3-carboxylic acid
CID 70114955
1-(2,2-dimethoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 82675148
1-(3-methoxy-3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid
CID 103034262
N-(3-hydroxy-4-methoxybutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 103877477
(3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylate
CID 7061674
1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 17389931
1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 71757801
1-(2-fluoroethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 83193064
1-[3-[(2-methylpropan-2-yl)oxy]propyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690461

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-4-methoxybutyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-hydroxy-4-methoxybutyl)-5-oxopyrrolidine-3-carboxylic acid (CID 106244819) is 1-(3-hydroxy-4-methoxybutyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-hydroxy-4-methoxybutyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-hydroxy-4-methoxybutyl)-5-oxopyrrolidine-3-carboxylic acid is COCC(O)CCN1CC(C(=O)O)CC1=O.
What is the InChIKey of 1-(3-hydroxy-4-methoxybutyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is YOQNDKWOXAEXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-16-6-8(12)2-3-11-5-7(10(14)15)4-9(11)13/h7-8,12H,2-6H2,1H3,(H,14,15).
What are the key properties of 1-(3-hydroxy-4-methoxybutyl)-5-oxopyrrolidine-3-carboxylic acid?
1-(3-hydroxy-4-methoxybutyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of -0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-4-methoxybutyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106244819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).