(2R,3S)-3-methyloxolane-2-carbohydrazide

C6H12N2O2 — CID 91654556

IUPAC(2R,3S)-3-methyloxolane-2-carbohydrazide
SMILESC[C@H]1CCO[C@H]1C(=O)NN
InChIInChI=1S/C6H12N2O2/c1-4-2-3-10-5(4)6(9)8-7/h4-5H,2-3,7H2,1H3,(H,8,9)/t4-,5+/m0/s1
InChIKeyOUQWMKOHAKXSFF-CRCLSJGQSA-N
MW144.17 g/mol
LogP-0.60
Rot. Bonds1

About (2R,3S)-3-methyloxolane-2-carbohydrazide

(2R,3S)-3-methyloxolane-2-carbohydrazide (PubChem CID 91654556) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is (2R,3S)-3-methyloxolane-2-carbohydrazide.

Molecular Properties

Compound Name(2R,3S)-3-methyloxolane-2-carbohydrazide
PubChem CID91654556
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name(2R,3S)-3-methyloxolane-2-carbohydrazide
SMILESC[C@H]1CCO[C@H]1C(=O)NN
InChIInChI=1S/C6H12N2O2/c1-4-2-3-10-5(4)6(9)8-7/h4-5H,2-3,7H2,1H3,(H,8,9)/t4-,5+/m0/s1
InChIKeyOUQWMKOHAKXSFF-CRCLSJGQSA-N
XLogP-0.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-oxoethyl)-3-methyloxolane-2-carboxamide
CID 81450030
N-(2-amino-2-methylpropyl)-3-methyloxolane-2-carboxamide
CID 115303323
methyl (2R,3S)-3-methyloxolane-2-carboxylate
CID 131847229
(2R,3R)-3-methyl-N-[(2R)-oxan-2-yl]oxyoxolane-2-carboxamide
CID 97023842
(2R)-3,3-dimethyl-2-[(3-methyloxolane-2-carbonyl)amino]butanoic acid
CID 103926983
N-(2-chloroprop-2-enyl)-3-methyloxolane-2-carboxamide
CID 115734116
N-(3-iodopropyl)-3-methyloxolane-2-carboxamide
CID 114503961
N-(4-bromobutyl)-3-methyloxolane-2-carboxamide
CID 106845690
(2S,3R)-N-(2-chloroprop-2-enyl)-3-methyloxolane-2-carboxamide
CID 131019910
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methyloxolane-2-carboxamide
CID 114631025
3-methyl-N-(4-methylpiperidin-4-yl)oxolane-2-carboxamide
CID 114696595
N-(4-bromooxolan-3-yl)-3-methyloxolane-2-carboxamide
CID 130751487

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-methyloxolane-2-carbohydrazide?
The IUPAC name of (2R,3S)-3-methyloxolane-2-carbohydrazide (CID 91654556) is (2R,3S)-3-methyloxolane-2-carbohydrazide.
What is the SMILES notation for (2R,3S)-3-methyloxolane-2-carbohydrazide?
The canonical SMILES for (2R,3S)-3-methyloxolane-2-carbohydrazide is C[C@H]1CCO[C@H]1C(=O)NN.
What is the InChIKey of (2R,3S)-3-methyloxolane-2-carbohydrazide?
The InChIKey is OUQWMKOHAKXSFF-CRCLSJGQSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-4-2-3-10-5(4)6(9)8-7/h4-5H,2-3,7H2,1H3,(H,8,9)/t4-,5+/m0/s1.
What are the key properties of (2R,3S)-3-methyloxolane-2-carbohydrazide?
(2R,3S)-3-methyloxolane-2-carbohydrazide has a molecular weight of 144.17 g/mol, XLogP of -0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-methyloxolane-2-carbohydrazide is sourced from PubChem (CID 91654556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).