1-acetyl-3-hydroxypyrrolidine-3-carboxylic acid

C7H11NO4 — CID 82411727

IUPAC1-acetyl-3-hydroxypyrrolidine-3-carboxylic acid
SMILESCC(=O)N1CCC(O)(C(=O)O)C1
InChIInChI=1S/C7H11NO4/c1-5(9)8-3-2-7(12,4-8)6(10)11/h12H,2-4H2,1H3,(H,10,11)
InChIKeyDJLZOIRWJSXKEH-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.95
Rot. Bonds1

About 1-acetyl-3-hydroxypyrrolidine-3-carboxylic acid

1-acetyl-3-hydroxypyrrolidine-3-carboxylic acid (PubChem CID 82411727) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is 1-acetyl-3-hydroxypyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-acetyl-3-hydroxypyrrolidine-3-carboxylic acid
PubChem CID82411727
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name1-acetyl-3-hydroxypyrrolidine-3-carboxylic acid
SMILESCC(=O)N1CCC(O)(C(=O)O)C1
InChIInChI=1S/C7H11NO4/c1-5(9)8-3-2-7(12,4-8)6(10)11/h12H,2-4H2,1H3,(H,10,11)
InChIKeyDJLZOIRWJSXKEH-UHFFFAOYSA-N
XLogP-0.95
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-acetyl-3-hydroxypyrrolidine-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-(1-acetyl-4-hydroxypiperidin-4-yl)ethanone
CID 15117211
1-acetyl-4-aminopiperidine-4-carboxylic acid
CID 127018755
1-acetyl-3-cyanopyrrolidine-3-carboxylic acid
CID 130812774
1-acetyl-3-ethenylpyrrolidine-3-carboxylic acid
CID 167731428
ethane;1-(3-fluoro-3-methylpyrrolidin-1-yl)ethanone
CID 144575237
1-[4,4-bis(hydroxymethyl)piperidin-1-yl]ethanone
CID 165440310
ethane;4-hydroxy-1-methylpiperidine-4-carboxylic acid
CID 166471402
1-(1-amino-1,7-diazaspiro[3.4]octan-7-yl)ethanone
CID 176675160
1-acetyl-4-carbamoylpiperidine-4-carboxylic acid
CID 118207938
1-(4-acetylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119250905
1-acetyl-3-fluoropyrrolidine-3-carbonitrile
CID 126758837
1-acetyl-4-propylpiperidine-4-carboxylic acid
CID 63125183

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3-hydroxypyrrolidine-3-carboxylic acid?
The IUPAC name of 1-acetyl-3-hydroxypyrrolidine-3-carboxylic acid (CID 82411727) is 1-acetyl-3-hydroxypyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-acetyl-3-hydroxypyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-acetyl-3-hydroxypyrrolidine-3-carboxylic acid is CC(=O)N1CCC(O)(C(=O)O)C1.
What is the InChIKey of 1-acetyl-3-hydroxypyrrolidine-3-carboxylic acid?
The InChIKey is DJLZOIRWJSXKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-5(9)8-3-2-7(12,4-8)6(10)11/h12H,2-4H2,1H3,(H,10,11).
What are the key properties of 1-acetyl-3-hydroxypyrrolidine-3-carboxylic acid?
1-acetyl-3-hydroxypyrrolidine-3-carboxylic acid has a molecular weight of 173.17 g/mol, XLogP of -0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3-hydroxypyrrolidine-3-carboxylic acid is sourced from PubChem (CID 82411727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).