5-(pyrimidin-2-ylcarbamoyl)oxolane-2-carboxylic acid

C10H11N3O4 — CID 102688798

IUPAC5-(pyrimidin-2-ylcarbamoyl)oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nc2ncccn2)O1
InChIInChI=1S/C10H11N3O4/c14-8(13-10-11-4-1-5-12-10)6-2-3-7(17-6)9(15)16/h1,4-7H,2-3H2,(H,15,16)(H,11,12,13,14)
InChIKeyMXITXGQDEXMMKW-UHFFFAOYSA-N
MW237.22 g/mol
LogP0.05
Rot. Bonds3

About 5-(pyrimidin-2-ylcarbamoyl)oxolane-2-carboxylic acid

5-(pyrimidin-2-ylcarbamoyl)oxolane-2-carboxylic acid (PubChem CID 102688798) has the molecular formula C10H11N3O4 and a molecular weight of 237.22 g/mol. Its IUPAC name is 5-(pyrimidin-2-ylcarbamoyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-(pyrimidin-2-ylcarbamoyl)oxolane-2-carboxylic acid
PubChem CID102688798
Molecular FormulaC10H11N3O4
Molecular Weight237.22 g/mol
Exact Mass237.07
IUPAC Name5-(pyrimidin-2-ylcarbamoyl)oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nc2ncccn2)O1
InChIInChI=1S/C10H11N3O4/c14-8(13-10-11-4-1-5-12-10)6-2-3-7(17-6)9(15)16/h1,4-7H,2-3H2,(H,15,16)(H,11,12,13,14)
InChIKeyMXITXGQDEXMMKW-UHFFFAOYSA-N
XLogP0.05
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,5S)-5-(pyridin-4-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102944564
(2R,5S)-5-[(2-ethoxy-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944715
(2R,5S)-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 107624816
(2R,5S)-5-[(3,5-dimethylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944368
5-(1,3,4-thiadiazol-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102689026
(2R,5S)-5-[(6-bromo-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
CID 114051447
(2R,5S)-5-[(6-chloro-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945567
(2R,5S)-5-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102944552
5-[(5-bromo-2-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688642
5-[(2-bromophenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687619
(2R,5S)-5-(cyclooctylcarbamoyl)oxolane-2-carboxylic acid
CID 102944337
5-[(3-bromo-4-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688823

Frequently Asked Questions

What is the IUPAC name of 5-(pyrimidin-2-ylcarbamoyl)oxolane-2-carboxylic acid?
The IUPAC name of 5-(pyrimidin-2-ylcarbamoyl)oxolane-2-carboxylic acid (CID 102688798) is 5-(pyrimidin-2-ylcarbamoyl)oxolane-2-carboxylic acid.
What is the SMILES notation for 5-(pyrimidin-2-ylcarbamoyl)oxolane-2-carboxylic acid?
The canonical SMILES for 5-(pyrimidin-2-ylcarbamoyl)oxolane-2-carboxylic acid is O=C(O)C1CCC(C(=O)Nc2ncccn2)O1.
What is the InChIKey of 5-(pyrimidin-2-ylcarbamoyl)oxolane-2-carboxylic acid?
The InChIKey is MXITXGQDEXMMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c14-8(13-10-11-4-1-5-12-10)6-2-3-7(17-6)9(15)16/h1,4-7H,2-3H2,(H,15,16)(H,11,12,13,14).
What are the key properties of 5-(pyrimidin-2-ylcarbamoyl)oxolane-2-carboxylic acid?
5-(pyrimidin-2-ylcarbamoyl)oxolane-2-carboxylic acid has a molecular weight of 237.22 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyrimidin-2-ylcarbamoyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 102688798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).