(2S)-4-hydroxy-1-(quinoxaline-2-carbonyl)pyrrolidine-2-carboxylic acid

C14H13N3O4 — CID 61153107

IUPAC(2S)-4-hydroxy-1-(quinoxaline-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(O)CN1C(=O)c1cnc2ccccc2n1
InChIInChI=1S/C14H13N3O4/c18-8-5-12(14(20)21)17(7-8)13(19)11-6-15-9-3-1-2-4-10(9)16-11/h1-4,6,8,12,18H,5,7H2,(H,20,21)/t8?,12-/m0/s1
InChIKeyJXVJLURLQPVFAX-MYIOLCAUSA-N
MW287.27 g/mol
LogP0.29
Rot. Bonds2

About (2S)-4-hydroxy-1-(quinoxaline-2-carbonyl)pyrrolidine-2-carboxylic acid

(2S)-4-hydroxy-1-(quinoxaline-2-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 61153107) has the molecular formula C14H13N3O4 and a molecular weight of 287.27 g/mol. Its IUPAC name is (2S)-4-hydroxy-1-(quinoxaline-2-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-1-(quinoxaline-2-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID61153107
Molecular FormulaC14H13N3O4
Molecular Weight287.27 g/mol
Exact Mass287.09
IUPAC Name(2S)-4-hydroxy-1-(quinoxaline-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(O)CN1C(=O)c1cnc2ccccc2n1
InChIInChI=1S/C14H13N3O4/c18-8-5-12(14(20)21)17(7-8)13(19)11-6-15-9-3-1-2-4-10(9)16-11/h1-4,6,8,12,18H,5,7H2,(H,20,21)/t8?,12-/m0/s1
InChIKeyJXVJLURLQPVFAX-MYIOLCAUSA-N
XLogP0.29
TPSA103.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-1-(quinoxaline-2-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-4-hydroxy-1-(quinoxaline-2-carbonyl)pyrrolidine-2-carboxylic acid (CID 61153107) is (2S)-4-hydroxy-1-(quinoxaline-2-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-hydroxy-1-(quinoxaline-2-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-hydroxy-1-(quinoxaline-2-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CC(O)CN1C(=O)c1cnc2ccccc2n1.
What is the InChIKey of (2S)-4-hydroxy-1-(quinoxaline-2-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is JXVJLURLQPVFAX-MYIOLCAUSA-N. The full InChI is InChI=1S/C14H13N3O4/c18-8-5-12(14(20)21)17(7-8)13(19)11-6-15-9-3-1-2-4-10(9)16-11/h1-4,6,8,12,18H,5,7H2,(H,20,21)/t8?,12-/m0/s1.
What are the key properties of (2S)-4-hydroxy-1-(quinoxaline-2-carbonyl)pyrrolidine-2-carboxylic acid?
(2S)-4-hydroxy-1-(quinoxaline-2-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 287.27 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-1-(quinoxaline-2-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61153107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).