(2S,3S)-N-hydroxy-2-methyloxane-3-carboxamide

C7H13NO3 — CID 130892243

IUPAC(2S,3S)-N-hydroxy-2-methyloxane-3-carboxamide
SMILESC[C@@H]1OCCC[C@@H]1C(=O)NO
InChIInChI=1S/C7H13NO3/c1-5-6(7(9)8-10)3-2-4-11-5/h5-6,10H,2-4H2,1H3,(H,8,9)/t5-,6-/m0/s1
InChIKeyIKCAOYVQRYIQRR-WDSKDSINSA-N
MW159.18 g/mol
LogP0.31
Rot. Bonds1

About (2S,3S)-N-hydroxy-2-methyloxane-3-carboxamide

(2S,3S)-N-hydroxy-2-methyloxane-3-carboxamide (PubChem CID 130892243) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (2S,3S)-N-hydroxy-2-methyloxane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-hydroxy-2-methyloxane-3-carboxamide
PubChem CID130892243
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(2S,3S)-N-hydroxy-2-methyloxane-3-carboxamide
SMILESC[C@@H]1OCCC[C@@H]1C(=O)NO
InChIInChI=1S/C7H13NO3/c1-5-6(7(9)8-10)3-2-4-11-5/h5-6,10H,2-4H2,1H3,(H,8,9)/t5-,6-/m0/s1
InChIKeyIKCAOYVQRYIQRR-WDSKDSINSA-N
XLogP0.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S,3S)-N-hydroxy-2-methyloxane-3-carboxamide 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 (2S,3S)-N-hydroxy-2-methyloxane-3-carboxamide?
The IUPAC name of (2S,3S)-N-hydroxy-2-methyloxane-3-carboxamide (CID 130892243) is (2S,3S)-N-hydroxy-2-methyloxane-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-hydroxy-2-methyloxane-3-carboxamide?
The canonical SMILES for (2S,3S)-N-hydroxy-2-methyloxane-3-carboxamide is C[C@@H]1OCCC[C@@H]1C(=O)NO.
What is the InChIKey of (2S,3S)-N-hydroxy-2-methyloxane-3-carboxamide?
The InChIKey is IKCAOYVQRYIQRR-WDSKDSINSA-N. The full InChI is InChI=1S/C7H13NO3/c1-5-6(7(9)8-10)3-2-4-11-5/h5-6,10H,2-4H2,1H3,(H,8,9)/t5-,6-/m0/s1.
What are the key properties of (2S,3S)-N-hydroxy-2-methyloxane-3-carboxamide?
(2S,3S)-N-hydroxy-2-methyloxane-3-carboxamide has a molecular weight of 159.18 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-hydroxy-2-methyloxane-3-carboxamide is sourced from PubChem (CID 130892243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).