5-[(5-methylpyrazin-2-yl)methylcarbamoyl]oxolane-2-carboxylic acid

C12H15N3O4 — CID 102688468

IUPAC5-[(5-methylpyrazin-2-yl)methylcarbamoyl]oxolane-2-carboxylic acid
SMILESCc1cnc(CNC(=O)C2CCC(C(=O)O)O2)cn1
InChIInChI=1S/C12H15N3O4/c1-7-4-14-8(5-13-7)6-15-11(16)9-2-3-10(19-9)12(17)18/h4-5,9-10H,2-3,6H2,1H3,(H,15,16)(H,17,18)
InChIKeyXQEFIJIBKXPEFH-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.03
Rot. Bonds4

About 5-[(5-methylpyrazin-2-yl)methylcarbamoyl]oxolane-2-carboxylic acid

5-[(5-methylpyrazin-2-yl)methylcarbamoyl]oxolane-2-carboxylic acid (PubChem CID 102688468) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 5-[(5-methylpyrazin-2-yl)methylcarbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5-methylpyrazin-2-yl)methylcarbamoyl]oxolane-2-carboxylic acid
PubChem CID102688468
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name5-[(5-methylpyrazin-2-yl)methylcarbamoyl]oxolane-2-carboxylic acid
SMILESCc1cnc(CNC(=O)C2CCC(C(=O)O)O2)cn1
InChIInChI=1S/C12H15N3O4/c1-7-4-14-8(5-13-7)6-15-11(16)9-2-3-10(19-9)12(17)18/h4-5,9-10H,2-3,6H2,1H3,(H,15,16)(H,17,18)
InChIKeyXQEFIJIBKXPEFH-UHFFFAOYSA-N
XLogP0.03
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 102688301
(2R,5S)-5-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 102945358
(2R,5S)-5-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)oxolane-2-carboxylic acid
CID 106394645
N-[(5-methylpyrazin-2-yl)methyl]pyrrolidine-3-carboxamide
CID 63006041
5-[(4-bromo-2,5-dimethylthiophen-3-yl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 167915465
(2R,5S)-5-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 102945620
(5-methylpyrazin-2-yl)methylurea
CID 62845946
(2R,5S)-5-(ethylcarbamoyl)oxolane-2-carboxylic acid
CID 102944287
(2S,3aS,7aS)-6-acetyl-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 155877203
(2S,3aS,6aS)-4-(cyclopentylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide
CID 97461090
5-[(4-chlorophenyl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 102687496
5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 102688886

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methylpyrazin-2-yl)methylcarbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[(5-methylpyrazin-2-yl)methylcarbamoyl]oxolane-2-carboxylic acid (CID 102688468) is 5-[(5-methylpyrazin-2-yl)methylcarbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[(5-methylpyrazin-2-yl)methylcarbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[(5-methylpyrazin-2-yl)methylcarbamoyl]oxolane-2-carboxylic acid is Cc1cnc(CNC(=O)C2CCC(C(=O)O)O2)cn1.
What is the InChIKey of 5-[(5-methylpyrazin-2-yl)methylcarbamoyl]oxolane-2-carboxylic acid?
The InChIKey is XQEFIJIBKXPEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-7-4-14-8(5-13-7)6-15-11(16)9-2-3-10(19-9)12(17)18/h4-5,9-10H,2-3,6H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-[(5-methylpyrazin-2-yl)methylcarbamoyl]oxolane-2-carboxylic acid?
5-[(5-methylpyrazin-2-yl)methylcarbamoyl]oxolane-2-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methylpyrazin-2-yl)methylcarbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102688468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).