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

C10H14N2O6 — CID 142439126

IUPAC1-[(3-hydroxy-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)C1C(=O)ONC1O
InChIInChI=1S/C10H14N2O6/c13-6(5-7(14)12-18-8(5)15)11-10(9(16)17)3-1-2-4-10/h5,7,12,14H,1-4H2,(H,11,13)(H,16,17)
InChIKeyASXZDCVDDPTXLY-UHFFFAOYSA-N
MW258.23 g/mol
LogP-1.50
Rot. Bonds3

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

1-[(3-hydroxy-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 142439126) has the molecular formula C10H14N2O6 and a molecular weight of 258.23 g/mol. Its IUPAC name is 1-[(3-hydroxy-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-hydroxy-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID142439126
Molecular FormulaC10H14N2O6
Molecular Weight258.23 g/mol
Exact Mass258.09
IUPAC Name1-[(3-hydroxy-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)C1C(=O)ONC1O
InChIInChI=1S/C10H14N2O6/c13-6(5-7(14)12-18-8(5)15)11-10(9(16)17)3-1-2-4-10/h5,7,12,14H,1-4H2,(H,11,13)(H,16,17)
InChIKeyASXZDCVDDPTXLY-UHFFFAOYSA-N
XLogP-1.50
TPSA124.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 5-1.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxy-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(3-hydroxy-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 142439126) is 1-[(3-hydroxy-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-hydroxy-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(3-hydroxy-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopentane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCC1)C1C(=O)ONC1O.
What is the InChIKey of 1-[(3-hydroxy-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is ASXZDCVDDPTXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O6/c13-6(5-7(14)12-18-8(5)15)11-10(9(16)17)3-1-2-4-10/h5,7,12,14H,1-4H2,(H,11,13)(H,16,17).
What are the key properties of 1-[(3-hydroxy-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
1-[(3-hydroxy-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 258.23 g/mol, XLogP of -1.50, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxy-5-oxo-1,2-oxazolidine-4-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 142439126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).