(2R,5S)-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]oxolane-2-carboxylic acid

C12H15N3O6 — CID 107624816

IUPAC(2R,5S)-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]oxolane-2-carboxylic acid
SMILESCOc1cc(OC)nc(NC(=O)[C@@H]2CC[C@H](C(=O)O)O2)n1
InChIInChI=1S/C12H15N3O6/c1-19-8-5-9(20-2)14-12(13-8)15-10(16)6-3-4-7(21-6)11(17)18/h5-7H,3-4H2,1-2H3,(H,17,18)(H,13,14,15,16)/t6-,7+/m0/s1
InChIKeyIJVVNTDNOVZTGZ-NKWVEPMBSA-N
MW297.27 g/mol
LogP0.06
Rot. Bonds5

About (2R,5S)-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]oxolane-2-carboxylic acid

(2R,5S)-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]oxolane-2-carboxylic acid (PubChem CID 107624816) has the molecular formula C12H15N3O6 and a molecular weight of 297.27 g/mol. Its IUPAC name is (2R,5S)-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]oxolane-2-carboxylic acid
PubChem CID107624816
Molecular FormulaC12H15N3O6
Molecular Weight297.27 g/mol
Exact Mass297.10
IUPAC Name(2R,5S)-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]oxolane-2-carboxylic acid
SMILESCOc1cc(OC)nc(NC(=O)[C@@H]2CC[C@H](C(=O)O)O2)n1
InChIInChI=1S/C12H15N3O6/c1-19-8-5-9(20-2)14-12(13-8)15-10(16)6-3-4-7(21-6)11(17)18/h5-7H,3-4H2,1-2H3,(H,17,18)(H,13,14,15,16)/t6-,7+/m0/s1
InChIKeyIJVVNTDNOVZTGZ-NKWVEPMBSA-N
XLogP0.06
TPSA119.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(aminomethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)oxolane-2-carboxamide
CID 107600048
5-(pyrimidin-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102688798
4-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 107602545
N-(4,6-dimethoxypyrimidin-2-yl)carbamate
CID 22648732
(2R,5S)-5-[(4-fluoro-2-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945091
2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 107605555
(2R,5S)-5-[(3,5-dimethylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944368
(2R,5S)-5-[(4-bromo-3-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945585
(2S,5R)-5-(methoxycarbamoyl)oxolane-2-carboxylic acid
CID 131204169
5-[(5-methyl-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
CID 107584585
(2R,5S)-5-(pyridin-4-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102944564
2-(cyclopropylmethylamino)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide
CID 107625783

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]oxolane-2-carboxylic acid (CID 107624816) is (2R,5S)-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]oxolane-2-carboxylic acid is COc1cc(OC)nc(NC(=O)[C@@H]2CC[C@H](C(=O)O)O2)n1.
What is the InChIKey of (2R,5S)-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is IJVVNTDNOVZTGZ-NKWVEPMBSA-N. The full InChI is InChI=1S/C12H15N3O6/c1-19-8-5-9(20-2)14-12(13-8)15-10(16)6-3-4-7(21-6)11(17)18/h5-7H,3-4H2,1-2H3,(H,17,18)(H,13,14,15,16)/t6-,7+/m0/s1.
What are the key properties of (2R,5S)-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]oxolane-2-carboxylic acid?
(2R,5S)-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 297.27 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 107624816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).