(2R,5S)-5-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)oxolane-2-carboxylic acid

C15H18N2O4 — CID 102945276

IUPAC(2R,5S)-5-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)oxolane-2-carboxylic acid
SMILESCN1CCN(C(=O)[C@@H]2CC[C@H](C(=O)O)O2)c2ccccc21
InChIInChI=1S/C15H18N2O4/c1-16-8-9-17(11-5-3-2-4-10(11)16)14(18)12-6-7-13(21-12)15(19)20/h2-5,12-13H,6-9H2,1H3,(H,19,20)/t12-,13+/m0/s1
InChIKeyPTRTVCJGEISSGC-QWHCGFSZSA-N
MW290.32 g/mol
LogP1.10
Rot. Bonds2

About (2R,5S)-5-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)oxolane-2-carboxylic acid

(2R,5S)-5-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)oxolane-2-carboxylic acid (PubChem CID 102945276) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is (2R,5S)-5-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)oxolane-2-carboxylic acid
PubChem CID102945276
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name(2R,5S)-5-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)oxolane-2-carboxylic acid
SMILESCN1CCN(C(=O)[C@@H]2CC[C@H](C(=O)O)O2)c2ccccc21
InChIInChI=1S/C15H18N2O4/c1-16-8-9-17(11-5-3-2-4-10(11)16)14(18)12-6-7-13(21-12)15(19)20/h2-5,12-13H,6-9H2,1H3,(H,19,20)/t12-,13+/m0/s1
InChIKeyPTRTVCJGEISSGC-QWHCGFSZSA-N
XLogP1.10
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,5S)-5-(2,3-dihydroindole-1-carbonyl)oxolane-2-carboxylic acid
CID 102944186
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[3-methyl-5-[(2S,5S)-5-methyloxolane-2-carbonyl]-3,4-dihydro-2H-1,5-benzodiazepin-1-yl]-[(2S,5S)-5-methyloxolan-2-yl]methanone
CID 99715353
2-bromo-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone
CID 63778569
5-(3-phenylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102688432
4-methyl-2,3-dihydroquinoxaline-1-carbohydrazide
CID 63776473
2-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one
CID 55235571
1-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-piperazin-1-ylethanone
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(4R)-3-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63779001
(1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119889173
(4-methyl-2,3-dihydroquinoxalin-1-yl)-(3-methylpiperidin-1-yl)methanone
CID 116656081
furan-2-yl-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)oxolane-2-carboxylic acid (CID 102945276) is (2R,5S)-5-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)oxolane-2-carboxylic acid is CN1CCN(C(=O)[C@@H]2CC[C@H](C(=O)O)O2)c2ccccc21.
What is the InChIKey of (2R,5S)-5-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)oxolane-2-carboxylic acid?
The InChIKey is PTRTVCJGEISSGC-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-16-8-9-17(11-5-3-2-4-10(11)16)14(18)12-6-7-13(21-12)15(19)20/h2-5,12-13H,6-9H2,1H3,(H,19,20)/t12-,13+/m0/s1.
What are the key properties of (2R,5S)-5-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)oxolane-2-carboxylic acid?
(2R,5S)-5-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)oxolane-2-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 102945276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).