(2S,5R)-5-(methoxycarbamoyl)oxolane-2-carboxylic acid

C7H11NO5 — CID 131204169

IUPAC(2S,5R)-5-(methoxycarbamoyl)oxolane-2-carboxylic acid
SMILESCONC(=O)[C@H]1CC[C@@H](C(=O)O)O1
InChIInChI=1S/C7H11NO5/c1-12-8-6(9)4-2-3-5(13-4)7(10)11/h4-5H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-,5+/m1/s1
InChIKeyFNKSEXWEZPLCKU-UHNVWZDZSA-N
MW189.17 g/mol
LogP-0.70
Rot. Bonds3

About (2S,5R)-5-(methoxycarbamoyl)oxolane-2-carboxylic acid

(2S,5R)-5-(methoxycarbamoyl)oxolane-2-carboxylic acid (PubChem CID 131204169) has the molecular formula C7H11NO5 and a molecular weight of 189.17 g/mol. Its IUPAC name is (2S,5R)-5-(methoxycarbamoyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2S,5R)-5-(methoxycarbamoyl)oxolane-2-carboxylic acid
PubChem CID131204169
Molecular FormulaC7H11NO5
Molecular Weight189.17 g/mol
Exact Mass189.06
IUPAC Name(2S,5R)-5-(methoxycarbamoyl)oxolane-2-carboxylic acid
SMILESCONC(=O)[C@H]1CC[C@@H](C(=O)O)O1
InChIInChI=1S/C7H11NO5/c1-12-8-6(9)4-2-3-5(13-4)7(10)11/h4-5H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-,5+/m1/s1
InChIKeyFNKSEXWEZPLCKU-UHNVWZDZSA-N
XLogP-0.70
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,5S)-oxolane-2,5-dicarboxylic acid
CID 12667635
(2R,5S)-5-(1-methoxypropan-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102944312
(2R,5S)-5-(ethylcarbamoyl)oxolane-2-carboxylic acid
CID 102944287
5-(cyanomethylcarbamoyl)oxolane-2-carboxylic acid
CID 102688288
(2R,5S)-5-[(1-methoxy-3-methyl-1-oxopentan-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102944751
(2R,5S)-5-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102944697
(2R,5S)-5-(cyclopropylmethylcarbamoyl)oxolane-2-carboxylic acid
CID 102944290
5-[(4-methoxy-4-oxobutyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688062
5-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688687
(2S,5S)-5-carbamoyloxolane-2-carboxylic acid
CID 97358936
(2S)-5-methoxyoxolane-2-carboxylic acid
CID 67688190
(2R,5S)-5-[(3-hydroxy-2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945348

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(methoxycarbamoyl)oxolane-2-carboxylic acid?
The IUPAC name of (2S,5R)-5-(methoxycarbamoyl)oxolane-2-carboxylic acid (CID 131204169) is (2S,5R)-5-(methoxycarbamoyl)oxolane-2-carboxylic acid.
What is the SMILES notation for (2S,5R)-5-(methoxycarbamoyl)oxolane-2-carboxylic acid?
The canonical SMILES for (2S,5R)-5-(methoxycarbamoyl)oxolane-2-carboxylic acid is CONC(=O)[C@H]1CC[C@@H](C(=O)O)O1.
What is the InChIKey of (2S,5R)-5-(methoxycarbamoyl)oxolane-2-carboxylic acid?
The InChIKey is FNKSEXWEZPLCKU-UHNVWZDZSA-N. The full InChI is InChI=1S/C7H11NO5/c1-12-8-6(9)4-2-3-5(13-4)7(10)11/h4-5H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-,5+/m1/s1.
What are the key properties of (2S,5R)-5-(methoxycarbamoyl)oxolane-2-carboxylic acid?
(2S,5R)-5-(methoxycarbamoyl)oxolane-2-carboxylic acid has a molecular weight of 189.17 g/mol, XLogP of -0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(methoxycarbamoyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 131204169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).