(3-methylquinoxalin-2-yl)methyl (2R)-2-benzamido-3-hydroxypropanoate

C20H19N3O4 — CID 51966253

IUPAC(3-methylquinoxalin-2-yl)methyl (2R)-2-benzamido-3-hydroxypropanoate
SMILESCc1nc2ccccc2nc1COC(=O)[C@@H](CO)NC(=O)c1ccccc1
InChIInChI=1S/C20H19N3O4/c1-13-18(22-16-10-6-5-9-15(16)21-13)12-27-20(26)17(11-24)23-19(25)14-7-3-2-4-8-14/h2-10,17,24H,11-12H2,1H3,(H,23,25)/t17-/m1/s1
InChIKeyLVENQHWGZWTWBO-QGZVFWFLSA-N
MW365.39 g/mol
LogP1.77
Rot. Bonds6

About (3-methylquinoxalin-2-yl)methyl (2R)-2-benzamido-3-hydroxypropanoate

(3-methylquinoxalin-2-yl)methyl (2R)-2-benzamido-3-hydroxypropanoate (PubChem CID 51966253) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is (3-methylquinoxalin-2-yl)methyl (2R)-2-benzamido-3-hydroxypropanoate.

Molecular Properties

Compound Name(3-methylquinoxalin-2-yl)methyl (2R)-2-benzamido-3-hydroxypropanoate
PubChem CID51966253
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name(3-methylquinoxalin-2-yl)methyl (2R)-2-benzamido-3-hydroxypropanoate
SMILESCc1nc2ccccc2nc1COC(=O)[C@@H](CO)NC(=O)c1ccccc1
InChIInChI=1S/C20H19N3O4/c1-13-18(22-16-10-6-5-9-15(16)21-13)12-27-20(26)17(11-24)23-19(25)14-7-3-2-4-8-14/h2-10,17,24H,11-12H2,1H3,(H,23,25)/t17-/m1/s1
InChIKeyLVENQHWGZWTWBO-QGZVFWFLSA-N
XLogP1.77
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (2R)-2-benzamido-3-hydroxypropanoate
CID 51966261
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-benzamido-3-hydroxypropanoate
CID 166186197
[(E)-6-[(2S)-2-benzamido-3-hydroxypropanoyl]oxyhex-3-enyl] (2S)-2-benzamido-3-hydroxypropanoate
CID 101142290
butan-2-yl (2R)-2-benzamido-3-hydroxypropanoate
CID 101068165
butan-2-yl (2S)-2-benzamido-3-hydroxypropanoate
CID 101068168
benzyl (2S)-3-hydroxy-2-[(4-propan-2-yloxybenzoyl)amino]propanoate
CID 46201346
bis[(3-methylquinoxalin-2-yl)methyl] pyridine-2,6-dicarboxylate
CID 46795021
(3-methylquinoxalin-2-yl)methyl 2-methylbenzoate
CID 18079246
4-[(3-methylquinoxalin-2-yl)methoxy]benzoic acid
CID 4601596
(3-methyl-1,2,4-oxadiazol-5-yl)methyl (2R)-2-benzamido-3-phenylpropanoate
CID 31048252
ethyl 2-benzamido-4-methylpentanoate
CID 12773376
dibenzyl (2S)-2-benzamidobutanedioate
CID 14420333

Frequently Asked Questions

What is the IUPAC name of (3-methylquinoxalin-2-yl)methyl (2R)-2-benzamido-3-hydroxypropanoate?
The IUPAC name of (3-methylquinoxalin-2-yl)methyl (2R)-2-benzamido-3-hydroxypropanoate (CID 51966253) is (3-methylquinoxalin-2-yl)methyl (2R)-2-benzamido-3-hydroxypropanoate.
What is the SMILES notation for (3-methylquinoxalin-2-yl)methyl (2R)-2-benzamido-3-hydroxypropanoate?
The canonical SMILES for (3-methylquinoxalin-2-yl)methyl (2R)-2-benzamido-3-hydroxypropanoate is Cc1nc2ccccc2nc1COC(=O)[C@@H](CO)NC(=O)c1ccccc1.
What is the InChIKey of (3-methylquinoxalin-2-yl)methyl (2R)-2-benzamido-3-hydroxypropanoate?
The InChIKey is LVENQHWGZWTWBO-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-13-18(22-16-10-6-5-9-15(16)21-13)12-27-20(26)17(11-24)23-19(25)14-7-3-2-4-8-14/h2-10,17,24H,11-12H2,1H3,(H,23,25)/t17-/m1/s1.
What are the key properties of (3-methylquinoxalin-2-yl)methyl (2R)-2-benzamido-3-hydroxypropanoate?
(3-methylquinoxalin-2-yl)methyl (2R)-2-benzamido-3-hydroxypropanoate has a molecular weight of 365.39 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylquinoxalin-2-yl)methyl (2R)-2-benzamido-3-hydroxypropanoate is sourced from PubChem (CID 51966253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).