(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'}

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Related Compounds

(2R,3S)-N-(1-acetylazetidin-3-yl)-2-methyloxane-3-carboxamide
CID 129399477
2-methyl-N-(5-methyl-2-pyridinyl)oxane-3-carboxamide
CID 128999567
2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)oxane-3-carboxamide
CID 154735472
N-ethyl-2-methyloxolane-3-carboxamide
CID 79758522
(2S,3S)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]oxane-3-carboxamide
CID 129349544
(2S,3R)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]oxane-3-carboxamide
CID 129349546
N-[5-(dimethylamino)-2-pyridinyl]-2-methyloxane-3-carboxamide
CID 129000728
N-(4-cyclopropyl-2-methylpyrimidin-5-yl)-2-methyloxane-3-carboxamide
CID 154755598
(2S,3S)-N-[5-(dimethylamino)-2-pyridinyl]-2-methyloxane-3-carboxamide
CID 129400783
(2R,3R)-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-2-methyloxane-3-carboxamide
CID 129399642
(3R)-2-methyloxolane-3-carboxylic acid
CID 54532975
2-[(2-methyloxolane-3-carbonyl)amino]acetic acid
CID 79750229

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).