3-[[(2R)-oxolane-2-carbonyl]amino]pyrazine-2-carboxylic acid

C10H11N3O4 — CID 104855685

IUPAC3-[[(2R)-oxolane-2-carbonyl]amino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NC(=O)[C@H]1CCCO1
InChIInChI=1S/C10H11N3O4/c14-9(6-2-1-5-17-6)13-8-7(10(15)16)11-3-4-12-8/h3-4,6H,1-2,5H2,(H,15,16)(H,12,13,14)/t6-/m1/s1
InChIKeyOZXDQVPIFXXJJM-ZCFIWIBFSA-N
MW237.22 g/mol
LogP0.29
Rot. Bonds3

About 3-[[(2R)-oxolane-2-carbonyl]amino]pyrazine-2-carboxylic acid

3-[[(2R)-oxolane-2-carbonyl]amino]pyrazine-2-carboxylic acid (PubChem CID 104855685) has the molecular formula C10H11N3O4 and a molecular weight of 237.22 g/mol. Its IUPAC name is 3-[[(2R)-oxolane-2-carbonyl]amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[(2R)-oxolane-2-carbonyl]amino]pyrazine-2-carboxylic acid
PubChem CID104855685
Molecular FormulaC10H11N3O4
Molecular Weight237.22 g/mol
Exact Mass237.07
IUPAC Name3-[[(2R)-oxolane-2-carbonyl]amino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NC(=O)[C@H]1CCCO1
InChIInChI=1S/C10H11N3O4/c14-9(6-2-1-5-17-6)13-8-7(10(15)16)11-3-4-12-8/h3-4,6H,1-2,5H2,(H,15,16)(H,12,13,14)/t6-/m1/s1
InChIKeyOZXDQVPIFXXJJM-ZCFIWIBFSA-N
XLogP0.29
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 ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(2S)-oxolane-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 104855894
5-[[(2S)-oxolane-2-carbonyl]amino]benzene-1,3-dicarboxylic acid
CID 893641
(2S)-N-(1H-imidazol-2-yl)oxolane-2-carboxamide
CID 103872487
3-[[(2S)-oxolane-2-carbonyl]amino]-1H-pyrazole-5-carboxylic acid
CID 104855741
N-phenyloxolane-2-carboxamide
CID 3453643
3-[(5-oxopyrrolidine-3-carbonyl)amino]pyrazine-2-carboxylic acid
CID 83191694
N-(2-chloro-3-pyridinyl)oxolane-2-carboxamide
CID 4166852
(2R)-N-(2-chloro-4-pyridinyl)oxolane-2-carboxamide
CID 129370669
(2R)-N-(1-benzylimidazol-2-yl)oxolane-2-carboxamide
CID 94211931
5-(oxane-2-carbonylamino)benzene-1,3-dicarboxylic acid
CID 62214026
(2S)-N-cyclopentyloxolane-2-carboxamide
CID 7368997
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-oxolane-2-carbonyl]amino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[[(2R)-oxolane-2-carbonyl]amino]pyrazine-2-carboxylic acid (CID 104855685) is 3-[[(2R)-oxolane-2-carbonyl]amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[[(2R)-oxolane-2-carbonyl]amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[[(2R)-oxolane-2-carbonyl]amino]pyrazine-2-carboxylic acid is O=C(O)c1nccnc1NC(=O)[C@H]1CCCO1.
What is the InChIKey of 3-[[(2R)-oxolane-2-carbonyl]amino]pyrazine-2-carboxylic acid?
The InChIKey is OZXDQVPIFXXJJM-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H11N3O4/c14-9(6-2-1-5-17-6)13-8-7(10(15)16)11-3-4-12-8/h3-4,6H,1-2,5H2,(H,15,16)(H,12,13,14)/t6-/m1/s1.
What are the key properties of 3-[[(2R)-oxolane-2-carbonyl]amino]pyrazine-2-carboxylic acid?
3-[[(2R)-oxolane-2-carbonyl]amino]pyrazine-2-carboxylic acid has a molecular weight of 237.22 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-oxolane-2-carbonyl]amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 104855685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).