(1R,4S)-4-hydroxy-1-[(2-methylpropan-2-yl)oxyamino]cyclopent-2-ene-1-carboxylic acid

C10H17NO4 — CID 77068316

IUPAC(1R,4S)-4-hydroxy-1-[(2-methylpropan-2-yl)oxyamino]cyclopent-2-ene-1-carboxylic acid
SMILESCC(C)(C)ON[C@@]1(C(=O)O)C=C[C@@H](O)C1
InChIInChI=1S/C10H17NO4/c1-9(2,3)15-11-10(8(13)14)5-4-7(12)6-10/h4-5,7,11-12H,6H2,1-3H3,(H,13,14)/t7-,10+/m1/s1
InChIKeyOUBPVCKXRRSVCX-XCBNKYQSSA-N
MW215.25 g/mol
LogP0.45
Rot. Bonds3

About (1R,4S)-4-hydroxy-1-[(2-methylpropan-2-yl)oxyamino]cyclopent-2-ene-1-carboxylic acid

(1R,4S)-4-hydroxy-1-[(2-methylpropan-2-yl)oxyamino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 77068316) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is (1R,4S)-4-hydroxy-1-[(2-methylpropan-2-yl)oxyamino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name(1R,4S)-4-hydroxy-1-[(2-methylpropan-2-yl)oxyamino]cyclopent-2-ene-1-carboxylic acid
PubChem CID77068316
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name(1R,4S)-4-hydroxy-1-[(2-methylpropan-2-yl)oxyamino]cyclopent-2-ene-1-carboxylic acid
SMILESCC(C)(C)ON[C@@]1(C(=O)O)C=C[C@@H](O)C1
InChIInChI=1S/C10H17NO4/c1-9(2,3)15-11-10(8(13)14)5-4-7(12)6-10/h4-5,7,11-12H,6H2,1-3H3,(H,13,14)/t7-,10+/m1/s1
InChIKeyOUBPVCKXRRSVCX-XCBNKYQSSA-N
XLogP0.45
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1R,4S)-4-hydroxy-1-[(2-methylpropan-2-yl)oxyamino]cyclopent-2-ene-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 (1R,4S)-4-hydroxy-1-[(2-methylpropan-2-yl)oxyamino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of (1R,4S)-4-hydroxy-1-[(2-methylpropan-2-yl)oxyamino]cyclopent-2-ene-1-carboxylic acid (CID 77068316) is (1R,4S)-4-hydroxy-1-[(2-methylpropan-2-yl)oxyamino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for (1R,4S)-4-hydroxy-1-[(2-methylpropan-2-yl)oxyamino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for (1R,4S)-4-hydroxy-1-[(2-methylpropan-2-yl)oxyamino]cyclopent-2-ene-1-carboxylic acid is CC(C)(C)ON[C@@]1(C(=O)O)C=C[C@@H](O)C1.
What is the InChIKey of (1R,4S)-4-hydroxy-1-[(2-methylpropan-2-yl)oxyamino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is OUBPVCKXRRSVCX-XCBNKYQSSA-N. The full InChI is InChI=1S/C10H17NO4/c1-9(2,3)15-11-10(8(13)14)5-4-7(12)6-10/h4-5,7,11-12H,6H2,1-3H3,(H,13,14)/t7-,10+/m1/s1.
What are the key properties of (1R,4S)-4-hydroxy-1-[(2-methylpropan-2-yl)oxyamino]cyclopent-2-ene-1-carboxylic acid?
(1R,4S)-4-hydroxy-1-[(2-methylpropan-2-yl)oxyamino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 0.45, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-4-hydroxy-1-[(2-methylpropan-2-yl)oxyamino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 77068316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).