(2R)-1-(3-ethoxyquinoxalin-2-yl)piperazine-2-carboxylic acid

C15H18N4O3 — CID 97163463

IUPAC(2R)-1-(3-ethoxyquinoxalin-2-yl)piperazine-2-carboxylic acid
SMILESCCOc1nc2ccccc2nc1N1CCNC[C@@H]1C(=O)O
InChIInChI=1S/C15H18N4O3/c1-2-22-14-13(17-10-5-3-4-6-11(10)18-14)19-8-7-16-9-12(19)15(20)21/h3-6,12,16H,2,7-9H2,1H3,(H,20,21)/t12-/m1/s1
InChIKeyOAAGJAKJFHWTLS-GFCCVEGCSA-N
MW302.33 g/mol
LogP0.89
Rot. Bonds4

About (2R)-1-(3-ethoxyquinoxalin-2-yl)piperazine-2-carboxylic acid

(2R)-1-(3-ethoxyquinoxalin-2-yl)piperazine-2-carboxylic acid (PubChem CID 97163463) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is (2R)-1-(3-ethoxyquinoxalin-2-yl)piperazine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(3-ethoxyquinoxalin-2-yl)piperazine-2-carboxylic acid
PubChem CID97163463
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name(2R)-1-(3-ethoxyquinoxalin-2-yl)piperazine-2-carboxylic acid
SMILESCCOc1nc2ccccc2nc1N1CCNC[C@@H]1C(=O)O
InChIInChI=1S/C15H18N4O3/c1-2-22-14-13(17-10-5-3-4-6-11(10)18-14)19-8-7-16-9-12(19)15(20)21/h3-6,12,16H,2,7-9H2,1H3,(H,20,21)/t12-/m1/s1
InChIKeyOAAGJAKJFHWTLS-GFCCVEGCSA-N
XLogP0.89
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-1-(3-ethoxyquinoxalin-2-yl)piperazine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-(3-ethoxyquinoxalin-2-yl)piperidine-2-carboxylic acid
CID 97177738
(2R)-1-(1,3-benzoxazol-2-yl)piperazine-2-carboxylic acid
CID 97055425
(3S)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxylic acid
CID 97177724
1-(3-hydroxy-2-pyridinyl)piperazine-2-carboxylic acid;hydrochloride
CID 71646293
1-(4-propoxypyrimidin-2-yl)piperazine-2-carboxylic acid
CID 112638719
[(2R)-1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methanol
CID 97177742
1-(1,2-benzothiazol-3-yl)piperazine-2-carboxylic acid
CID 71646320
1-(5-methoxy-2-pyridinyl)piperazine-2-carboxylic acid
CID 106504446
1-(2-methoxycarbonylpyrimidin-4-yl)piperazine-2-carboxylic acid
CID 66284509
1-pyrazolo[1,5-a]pyrazin-4-ylpiperazine-2-carboxylic acid
CID 113446483
1-(4-methylpyrimidin-2-yl)piperazine-2-carboxylic acid;hydrochloride
CID 71639214
1-quinazolin-2-ylpiperazine-2-carboxamide
CID 114789482

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-ethoxyquinoxalin-2-yl)piperazine-2-carboxylic acid?
The IUPAC name of (2R)-1-(3-ethoxyquinoxalin-2-yl)piperazine-2-carboxylic acid (CID 97163463) is (2R)-1-(3-ethoxyquinoxalin-2-yl)piperazine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(3-ethoxyquinoxalin-2-yl)piperazine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(3-ethoxyquinoxalin-2-yl)piperazine-2-carboxylic acid is CCOc1nc2ccccc2nc1N1CCNC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-(3-ethoxyquinoxalin-2-yl)piperazine-2-carboxylic acid?
The InChIKey is OAAGJAKJFHWTLS-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-2-22-14-13(17-10-5-3-4-6-11(10)18-14)19-8-7-16-9-12(19)15(20)21/h3-6,12,16H,2,7-9H2,1H3,(H,20,21)/t12-/m1/s1.
What are the key properties of (2R)-1-(3-ethoxyquinoxalin-2-yl)piperazine-2-carboxylic acid?
(2R)-1-(3-ethoxyquinoxalin-2-yl)piperazine-2-carboxylic acid has a molecular weight of 302.33 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-ethoxyquinoxalin-2-yl)piperazine-2-carboxylic acid is sourced from PubChem (CID 97163463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).