(2R)-1-(4-ethyl-3-oxoquinoxalin-2-yl)pyrrolidine-2-carboxylic acid

C15H17N3O3 — CID 92735175

IUPAC(2R)-1-(4-ethyl-3-oxoquinoxalin-2-yl)pyrrolidine-2-carboxylic acid
SMILESCCn1c(=O)c(N2CCC[C@@H]2C(=O)O)nc2ccccc21
InChIInChI=1S/C15H17N3O3/c1-2-17-11-7-4-3-6-10(11)16-13(14(17)19)18-9-5-8-12(18)15(20)21/h3-4,6-7,12H,2,5,8-9H2,1H3,(H,20,21)/t12-/m1/s1
InChIKeyTZCSKUHPTFWSLW-GFCCVEGCSA-N
MW287.32 g/mol
LogP1.47
Rot. Bonds3

About (2R)-1-(4-ethyl-3-oxoquinoxalin-2-yl)pyrrolidine-2-carboxylic acid

(2R)-1-(4-ethyl-3-oxoquinoxalin-2-yl)pyrrolidine-2-carboxylic acid (PubChem CID 92735175) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is (2R)-1-(4-ethyl-3-oxoquinoxalin-2-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(4-ethyl-3-oxoquinoxalin-2-yl)pyrrolidine-2-carboxylic acid
PubChem CID92735175
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name(2R)-1-(4-ethyl-3-oxoquinoxalin-2-yl)pyrrolidine-2-carboxylic acid
SMILESCCn1c(=O)c(N2CCC[C@@H]2C(=O)O)nc2ccccc21
InChIInChI=1S/C15H17N3O3/c1-2-17-11-7-4-3-6-10(11)16-13(14(17)19)18-9-5-8-12(18)15(20)21/h3-4,6-7,12H,2,5,8-9H2,1H3,(H,20,21)/t12-/m1/s1
InChIKeyTZCSKUHPTFWSLW-GFCCVEGCSA-N
XLogP1.47
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-cyclooctyl-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
CID 30454576
(2R)-1-(3-ethoxyquinoxalin-2-yl)piperidine-2-carboxylic acid
CID 97177738
(3R)-1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 30454609
1-[4-[2-ethyl-1-(7-ethyl-3-bicyclo[3.3.1]nonanyl)-6-(hydroxymethyl)piperidin-4-yl]-3-oxoquinoxalin-2-yl]pyrrolidine-2-carboxylic acid
CID 123689015
ethyl 1-[(3S)-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carbonyl]piperidine-4-carboxylate
CID 93058035
1-ethyl-3-[(3R)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]quinoxalin-2-one
CID 30451481
1-(4-benzyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxylic acid
CID 53214191
1-ethyl-3-[(3S)-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]quinoxalin-2-one
CID 30451457
1-ethyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one
CID 46393079
N-benzyl-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide
CID 53070083
3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-ethylquinoxalin-2-one
CID 50835017
(2S)-1-[4-[(2R,4R)-1-cyclohexyl-2-propylpiperidin-4-yl]-3-oxoquinoxalin-2-yl]azetidine-2-carboxylic acid
CID 121354025

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-ethyl-3-oxoquinoxalin-2-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(4-ethyl-3-oxoquinoxalin-2-yl)pyrrolidine-2-carboxylic acid (CID 92735175) is (2R)-1-(4-ethyl-3-oxoquinoxalin-2-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(4-ethyl-3-oxoquinoxalin-2-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(4-ethyl-3-oxoquinoxalin-2-yl)pyrrolidine-2-carboxylic acid is CCn1c(=O)c(N2CCC[C@@H]2C(=O)O)nc2ccccc21.
What is the InChIKey of (2R)-1-(4-ethyl-3-oxoquinoxalin-2-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is TZCSKUHPTFWSLW-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-2-17-11-7-4-3-6-10(11)16-13(14(17)19)18-9-5-8-12(18)15(20)21/h3-4,6-7,12H,2,5,8-9H2,1H3,(H,20,21)/t12-/m1/s1.
What are the key properties of (2R)-1-(4-ethyl-3-oxoquinoxalin-2-yl)pyrrolidine-2-carboxylic acid?
(2R)-1-(4-ethyl-3-oxoquinoxalin-2-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-ethyl-3-oxoquinoxalin-2-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 92735175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).