(2S)-N-methyl-5-oxooxolane-2-carboxamide

C6H9NO3 — CID 10103278

IUPAC(2S)-N-methyl-5-oxooxolane-2-carboxamide
SMILESCNC(=O)[C@@H]1CCC(=O)O1
InChIInChI=1S/C6H9NO3/c1-7-6(9)4-2-3-5(8)10-4/h4H,2-3H2,1H3,(H,7,9)/t4-/m0/s1
InChIKeyBUXQGDNKRZCGCI-BYPYZUCNSA-N
MW143.14 g/mol
LogP-0.56
Rot. Bonds1

About (2S)-N-methyl-5-oxooxolane-2-carboxamide

(2S)-N-methyl-5-oxooxolane-2-carboxamide (PubChem CID 10103278) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is (2S)-N-methyl-5-oxooxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methyl-5-oxooxolane-2-carboxamide
PubChem CID10103278
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name(2S)-N-methyl-5-oxooxolane-2-carboxamide
SMILESCNC(=O)[C@@H]1CCC(=O)O1
InChIInChI=1S/C6H9NO3/c1-7-6(9)4-2-3-5(8)10-4/h4H,2-3H2,1H3,(H,7,9)/t4-/m0/s1
InChIKeyBUXQGDNKRZCGCI-BYPYZUCNSA-N
XLogP-0.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 3-(oxolan-2-ylformamido)propanoate
CID 60636005
N-(5-Oxo-tetrahydro-furan-2-ylmethyl)-acetamide
CID 533856
N-ethyloxolane-2-carboxamide
CID 3254618
N-Methyltetrahydrofuran-2-carboxamide
CID 3506124
(R)-N-methyl-5-oxotetrahydrofuran-2-carboxamide
CID 9989373
N,N-Dimethyl-5-oxotetrahydrofuran-2-carboxamide
CID 10749444
(2R)-N,N-Dimethyl-5-oxooxolane-2-carboxamide
CID 14923328
(2R)-N-ethyloxolane-2-carboxamide
CID 40575792
(2R)-N-methyloxolane-2-carboxamide
CID 57939416
(2S)-N-methyloxolane-2-carboxamide
CID 57939541
(2R)-N-tert-butyl-5-oxooxolane-2-carboxamide
CID 58491562
(2S)-N-tert-butyl-5-oxooxolane-2-carboxamide
CID 58491673

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-5-oxooxolane-2-carboxamide?
The IUPAC name of (2S)-N-methyl-5-oxooxolane-2-carboxamide (CID 10103278) is (2S)-N-methyl-5-oxooxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-methyl-5-oxooxolane-2-carboxamide?
The canonical SMILES for (2S)-N-methyl-5-oxooxolane-2-carboxamide is CNC(=O)[C@@H]1CCC(=O)O1.
What is the InChIKey of (2S)-N-methyl-5-oxooxolane-2-carboxamide?
The InChIKey is BUXQGDNKRZCGCI-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H9NO3/c1-7-6(9)4-2-3-5(8)10-4/h4H,2-3H2,1H3,(H,7,9)/t4-/m0/s1.
What are the key properties of (2S)-N-methyl-5-oxooxolane-2-carboxamide?
(2S)-N-methyl-5-oxooxolane-2-carboxamide has a molecular weight of 143.14 g/mol, XLogP of -0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-5-oxooxolane-2-carboxamide is sourced from PubChem (CID 10103278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).