(3S,4R)-3-methyloxane-4-carboxamide

C7H13NO2 — CID 55289009

IUPAC(3S,4R)-3-methyloxane-4-carboxamide
SMILESC[C@@H]1COCC[C@H]1C(N)=O
InChIInChI=1S/C7H13NO2/c1-5-4-10-3-2-6(5)7(8)9/h5-6H,2-4H2,1H3,(H2,8,9)/t5-,6-/m1/s1
InChIKeySIPGKNYZNUKQDB-PHDIDXHHSA-N
MW143.19 g/mol
LogP0.14
Rot. Bonds1

About (3S,4R)-3-methyloxane-4-carboxamide

(3S,4R)-3-methyloxane-4-carboxamide (PubChem CID 55289009) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (3S,4R)-3-methyloxane-4-carboxamide.

Molecular Properties

Compound Name(3S,4R)-3-methyloxane-4-carboxamide
PubChem CID55289009
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(3S,4R)-3-methyloxane-4-carboxamide
SMILESC[C@@H]1COCC[C@H]1C(N)=O
InChIInChI=1S/C7H13NO2/c1-5-4-10-3-2-6(5)7(8)9/h5-6H,2-4H2,1H3,(H2,8,9)/t5-,6-/m1/s1
InChIKeySIPGKNYZNUKQDB-PHDIDXHHSA-N
XLogP0.14
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Oxane-4-carboxamide
CID 13197203
Tetrahydro-pyran-4-carboxylic acid hydroxyamide
CID 22646733
2-Methyloxane-4-carboxamide
CID 17840728
2-Ethyl-4-methoxybutanamide
CID 55290162
4-Propan-2-yloxane-4-carboxamide
CID 57797563
4-methyltetrahydro-2H-pyran-4-carboxamide
CID 57911514
2-(Oxan-4-yl)propanamide
CID 67486240
2-(Tetrahydro-2H-pyran-3-yl)acetamide
CID 68729540
Oxane-4-carboxamide;hydrochloride
CID 68867617
3-Methyloxane-4-carboxamide
CID 76224325
N-iodooxane-4-carboxamide
CID 89361759
(R)-2-(Tetrahydro-2H-pyran-3-yl)acetamide
CID 89405389

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-methyloxane-4-carboxamide?
The IUPAC name of (3S,4R)-3-methyloxane-4-carboxamide (CID 55289009) is (3S,4R)-3-methyloxane-4-carboxamide.
What is the SMILES notation for (3S,4R)-3-methyloxane-4-carboxamide?
The canonical SMILES for (3S,4R)-3-methyloxane-4-carboxamide is C[C@@H]1COCC[C@H]1C(N)=O.
What is the InChIKey of (3S,4R)-3-methyloxane-4-carboxamide?
The InChIKey is SIPGKNYZNUKQDB-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5-4-10-3-2-6(5)7(8)9/h5-6H,2-4H2,1H3,(H2,8,9)/t5-,6-/m1/s1.
What are the key properties of (3S,4R)-3-methyloxane-4-carboxamide?
(3S,4R)-3-methyloxane-4-carboxamide has a molecular weight of 143.19 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-methyloxane-4-carboxamide is sourced from PubChem (CID 55289009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).