(2R,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-5-carboxylic acid

C11H14N2O2 — CID 42551926

IUPAC(2R,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-5-carboxylic acid
SMILESC[C@@H]1Nc2c(cccc2C(=O)O)N[C@@H]1C
InChIInChI=1S/C11H14N2O2/c1-6-7(2)13-10-8(11(14)15)4-3-5-9(10)12-6/h3-7,12-13H,1-2H3,(H,14,15)/t6-,7+/m1/s1
InChIKeyDNUXGRUMNHZRSV-RQJHMYQMSA-N
MW206.24 g/mol
LogP2.00
Rot. Bonds1

About (2R,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-5-carboxylic acid

(2R,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-5-carboxylic acid (PubChem CID 42551926) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is (2R,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-5-carboxylic acid.

Molecular Properties

Compound Name(2R,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-5-carboxylic acid
PubChem CID42551926
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name(2R,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-5-carboxylic acid
SMILESC[C@@H]1Nc2c(cccc2C(=O)O)N[C@@H]1C
InChIInChI=1S/C11H14N2O2/c1-6-7(2)13-10-8(11(14)15)4-3-5-9(10)12-6/h3-7,12-13H,1-2H3,(H,14,15)/t6-,7+/m1/s1
InChIKeyDNUXGRUMNHZRSV-RQJHMYQMSA-N
XLogP2.00
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-2,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-5-carboxylic acid
CID 42551920
(2R,3R)-2,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-5-carboxylic acid
CID 42551922
2,3,5-trimethyl-1,2,3,4-tetrahydroquinoxaline
CID 118011663
2-methyl-2,3-dihydro-1H-indole-4-carboxylic acid
CID 117202955
4-methyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid
CID 56766062
3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxylic acid
CID 84628327
4-cyclopropyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxylic acid
CID 112577525
3-methyl-2,3-dihydro-1H-indole-7-carboxylic acid
CID 117204169
(3R)-3-methyl-2,3-dihydro-1H-indole-7-carboxylic acid
CID 125041401
2-(2-carboxyethyl)-3-oxo-2,4-dihydro-1H-quinoxaline-5-carboxylic acid
CID 115544023
carbonic acid;2-methylbenzene-1,3-dicarboxylic acid
CID 174390462
3,3-dimethyl-2,4-dihydro-1H-quinoxaline-5-carboxylic acid
CID 115095893

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-5-carboxylic acid?
The IUPAC name of (2R,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-5-carboxylic acid (CID 42551926) is (2R,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-5-carboxylic acid.
What is the SMILES notation for (2R,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-5-carboxylic acid?
The canonical SMILES for (2R,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-5-carboxylic acid is C[C@@H]1Nc2c(cccc2C(=O)O)N[C@@H]1C.
What is the InChIKey of (2R,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-5-carboxylic acid?
The InChIKey is DNUXGRUMNHZRSV-RQJHMYQMSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-6-7(2)13-10-8(11(14)15)4-3-5-9(10)12-6/h3-7,12-13H,1-2H3,(H,14,15)/t6-,7+/m1/s1.
What are the key properties of (2R,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-5-carboxylic acid?
(2R,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-5-carboxylic acid has a molecular weight of 206.24 g/mol, XLogP of 2.00, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-5-carboxylic acid is sourced from PubChem (CID 42551926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).