methyl (2S)-2-(3,4-dichlorophenyl)-2-[methyl-(5-methylpyrazine-2-carbonyl)amino]acetate

C16H15Cl2N3O3 — CID 52511728

IUPACmethyl (2S)-2-(3,4-dichlorophenyl)-2-[methyl-(5-methylpyrazine-2-carbonyl)amino]acetate
SMILESCOC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1cnc(C)cn1
InChIInChI=1S/C16H15Cl2N3O3/c1-9-7-20-13(8-19-9)15(22)21(2)14(16(23)24-3)10-4-5-11(17)12(18)6-10/h4-8,14H,1-3H3/t14-/m0/s1
InChIKeyOSIJAXLHNBSAOU-AWEZNQCLSA-N
MW368.22 g/mol
LogP3.08
Rot. Bonds4

About methyl (2S)-2-(3,4-dichlorophenyl)-2-[methyl-(5-methylpyrazine-2-carbonyl)amino]acetate

methyl (2S)-2-(3,4-dichlorophenyl)-2-[methyl-(5-methylpyrazine-2-carbonyl)amino]acetate (PubChem CID 52511728) has the molecular formula C16H15Cl2N3O3 and a molecular weight of 368.22 g/mol. Its IUPAC name is methyl (2S)-2-(3,4-dichlorophenyl)-2-[methyl-(5-methylpyrazine-2-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl (2S)-2-(3,4-dichlorophenyl)-2-[methyl-(5-methylpyrazine-2-carbonyl)amino]acetate
PubChem CID52511728
Molecular FormulaC16H15Cl2N3O3
Molecular Weight368.22 g/mol
Exact Mass367.05
IUPAC Namemethyl (2S)-2-(3,4-dichlorophenyl)-2-[methyl-(5-methylpyrazine-2-carbonyl)amino]acetate
SMILESCOC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1cnc(C)cn1
InChIInChI=1S/C16H15Cl2N3O3/c1-9-7-20-13(8-19-9)15(22)21(2)14(16(23)24-3)10-4-5-11(17)12(18)6-10/h4-8,14H,1-3H3/t14-/m0/s1
InChIKeyOSIJAXLHNBSAOU-AWEZNQCLSA-N
XLogP3.08
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(4-cyanobenzoyl)-methylamino]-2-(3,4-dichlorophenyl)acetate
CID 51132529
N-[1-(3-chlorophenyl)ethyl]-N,5-dimethylpyrazine-2-carboxamide
CID 47161938
methyl (2R)-2-[methyl-(6-methylpyridine-3-carbonyl)amino]-2-phenylacetate
CID 95980810
methyl 2-(3,4-dichlorophenyl)propanoate
CID 11402033
6-[[[1-(3,4-dichlorophenyl)-2-methoxy-2-oxoethyl]-methylamino]methyl]pyridine-2-carboxylic acid
CID 166381428
methyl (2R)-2-amino-2-(3,4-dichlorophenyl)acetate;hydrochloride
CID 155903191
methyl (2R)-2-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-methylamino]-2-(4-methoxyphenyl)acetate
CID 125498949
methyl 2-(3,4-dichlorophenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetate
CID 120848191
4-(3,4-dichlorophenyl)-4-(dimethylamino)butan-2-one
CID 116910574
methyl 2-(3,4-dichlorophenyl)-4-oxobutanoate
CID 59856539
1-(3,4-dichlorophenyl)-1-(dimethylamino)propan-2-one;hydrochloride
CID 71239032
methyl (2S)-2-(3,4-dichlorophenyl)-2-[[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-methylamino]acetate
CID 52513333

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(3,4-dichlorophenyl)-2-[methyl-(5-methylpyrazine-2-carbonyl)amino]acetate?
The IUPAC name of methyl (2S)-2-(3,4-dichlorophenyl)-2-[methyl-(5-methylpyrazine-2-carbonyl)amino]acetate (CID 52511728) is methyl (2S)-2-(3,4-dichlorophenyl)-2-[methyl-(5-methylpyrazine-2-carbonyl)amino]acetate.
What is the SMILES notation for methyl (2S)-2-(3,4-dichlorophenyl)-2-[methyl-(5-methylpyrazine-2-carbonyl)amino]acetate?
The canonical SMILES for methyl (2S)-2-(3,4-dichlorophenyl)-2-[methyl-(5-methylpyrazine-2-carbonyl)amino]acetate is COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1cnc(C)cn1.
What is the InChIKey of methyl (2S)-2-(3,4-dichlorophenyl)-2-[methyl-(5-methylpyrazine-2-carbonyl)amino]acetate?
The InChIKey is OSIJAXLHNBSAOU-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H15Cl2N3O3/c1-9-7-20-13(8-19-9)15(22)21(2)14(16(23)24-3)10-4-5-11(17)12(18)6-10/h4-8,14H,1-3H3/t14-/m0/s1.
What are the key properties of methyl (2S)-2-(3,4-dichlorophenyl)-2-[methyl-(5-methylpyrazine-2-carbonyl)amino]acetate?
methyl (2S)-2-(3,4-dichlorophenyl)-2-[methyl-(5-methylpyrazine-2-carbonyl)amino]acetate has a molecular weight of 368.22 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(3,4-dichlorophenyl)-2-[methyl-(5-methylpyrazine-2-carbonyl)amino]acetate is sourced from PubChem (CID 52511728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).