1-[(3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopropane-1-carboxylic acid

C9H12N2O6 — CID 142439116

IUPAC1-[(3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopropane-1-carboxylic acid
SMILESCN1OC(=O)C(C(=O)NC2(C(=O)O)CC2)C1O
InChIInChI=1S/C9H12N2O6/c1-11-6(13)4(7(14)17-11)5(12)10-9(2-3-9)8(15)16/h4,6,13H,2-3H2,1H3,(H,10,12)(H,15,16)
InChIKeyYOXMAOVFYPOJIX-UHFFFAOYSA-N
MW244.20 g/mol
LogP-1.94
Rot. Bonds3

About 1-[(3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopropane-1-carboxylic acid

1-[(3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopropane-1-carboxylic acid (PubChem CID 142439116) has the molecular formula C9H12N2O6 and a molecular weight of 244.20 g/mol. Its IUPAC name is 1-[(3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopropane-1-carboxylic acid
PubChem CID142439116
Molecular FormulaC9H12N2O6
Molecular Weight244.20 g/mol
Exact Mass244.07
IUPAC Name1-[(3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopropane-1-carboxylic acid
SMILESCN1OC(=O)C(C(=O)NC2(C(=O)O)CC2)C1O
InChIInChI=1S/C9H12N2O6/c1-11-6(13)4(7(14)17-11)5(12)10-9(2-3-9)8(15)16/h4,6,13H,2-3H2,1H3,(H,10,12)(H,15,16)
InChIKeyYOXMAOVFYPOJIX-UHFFFAOYSA-N
XLogP-1.94
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 5-1.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-[(3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopropane-1-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

Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopropane-1-carboxylic acid (CID 142439116) is 1-[(3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopropane-1-carboxylic acid is CN1OC(=O)C(C(=O)NC2(C(=O)O)CC2)C1O.
What is the InChIKey of 1-[(3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopropane-1-carboxylic acid?
The InChIKey is YOXMAOVFYPOJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O6/c1-11-6(13)4(7(14)17-11)5(12)10-9(2-3-9)8(15)16/h4,6,13H,2-3H2,1H3,(H,10,12)(H,15,16).
What are the key properties of 1-[(3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopropane-1-carboxylic acid?
1-[(3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopropane-1-carboxylic acid has a molecular weight of 244.20 g/mol, XLogP of -1.94, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 142439116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).