(2S)-1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxylic acid

C10H11N3O4 — CID 28789632

IUPAC(2S)-1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C10H11N3O4/c14-8-5-11-6(4-12-8)9(15)13-3-1-2-7(13)10(16)17/h4-5,7H,1-3H2,(H,12,14)(H,16,17)/t7-/m0/s1
InChIKeyRCWXCYIHDVAPSP-ZETCQYMHSA-N
MW237.21 g/mol
LogP-0.54
Rot. Bonds2

About (2S)-1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxylic acid

(2S)-1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 28789632) has the molecular formula C10H11N3O4 and a molecular weight of 237.21 g/mol. Its IUPAC name is (2S)-1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID28789632
Molecular FormulaC10H11N3O4
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC Name(2S)-1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C10H11N3O4/c14-8-5-11-6(4-12-8)9(15)13-3-1-2-7(13)10(16)17/h4-5,7H,1-3H2,(H,12,14)(H,16,17)/t7-/m0/s1
InChIKeyRCWXCYIHDVAPSP-ZETCQYMHSA-N
XLogP-0.54
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-3-(propan-2-ylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid
CID 21979670
3-(ethylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid
CID 21979683
4-oxo-3-(propylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid
CID 21979686
(6S)-4-oxo-3-(propan-2-ylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid
CID 90966739
(6S)-4-oxo-3-(propylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid
CID 91021465
(6S)-3-(ethylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid
CID 91319928
(6S)-3-acetamido-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid
CID 140126341
(2R)-1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 28789634
(2S)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 28789700
(2R)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 28789702
(2S)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-2-carboxylic acid
CID 28789884
(2R)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-2-carboxylic acid
CID 28789886

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 28789632) is (2S)-1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1C(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of (2S)-1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is RCWXCYIHDVAPSP-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H11N3O4/c14-8-5-11-6(4-12-8)9(15)13-3-1-2-7(13)10(16)17/h4-5,7H,1-3H2,(H,12,14)(H,16,17)/t7-/m0/s1.
What are the key properties of (2S)-1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 237.21 g/mol, XLogP of -0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 28789632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).