methyl 2-[(2-methoxybenzoyl)-methylamino]acetate

C12H15NO4 — CID 584991

IUPACmethyl 2-[(2-methoxybenzoyl)-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)c1ccccc1OC
InChIInChI=1S/C12H15NO4/c1-13(8-11(14)17-3)12(15)9-6-4-5-7-10(9)16-2/h4-7H,8H2,1-3H3
InChIKeyDKBGBPVZIMBTRQ-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.94
Rot. Bonds4

About methyl 2-[(2-methoxybenzoyl)-methylamino]acetate

methyl 2-[(2-methoxybenzoyl)-methylamino]acetate (PubChem CID 584991) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is methyl 2-[(2-methoxybenzoyl)-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxybenzoyl)-methylamino]acetate
PubChem CID584991
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Namemethyl 2-[(2-methoxybenzoyl)-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)c1ccccc1OC
InChIInChI=1S/C12H15NO4/c1-13(8-11(14)17-3)12(15)9-6-4-5-7-10(9)16-2/h4-7H,8H2,1-3H3
InChIKeyDKBGBPVZIMBTRQ-UHFFFAOYSA-N
XLogP0.94
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

pentyl 2-[(2-methoxybenzoyl)-methylamino]acetate
CID 91715427
methyl 2-[(3-methoxypyridine-4-carbonyl)-methylamino]acetate
CID 105064217
2-methoxy-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27783988
N-(3-bromopropyl)-2-methoxy-N-methylbenzamide
CID 106441301
methyl 2-[(2-methoxy-5-nitrobenzoyl)-methylamino]acetate
CID 43407682
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methoxy-N-methylbenzamide
CID 27794645
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
methyl 2-[(3-chloro-2-fluorobenzoyl)-methylamino]acetate
CID 80979404
methyl 2-[(3-bromo-2-chlorobenzoyl)-methylamino]acetate
CID 103994339
methyl 2-[(2-methoxy-6-nitrobenzoyl)-methylamino]acetate
CID 81414362
methyl 2-[(4-hydroxy-3-methoxybenzoyl)-methylamino]acetate
CID 110465943
tert-butyl N-[1-[(2-methoxybenzoyl)-methylamino]-2-methylpropan-2-yl]carbamate
CID 110669082

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxybenzoyl)-methylamino]acetate?
The IUPAC name of methyl 2-[(2-methoxybenzoyl)-methylamino]acetate (CID 584991) is methyl 2-[(2-methoxybenzoyl)-methylamino]acetate.
What is the SMILES notation for methyl 2-[(2-methoxybenzoyl)-methylamino]acetate?
The canonical SMILES for methyl 2-[(2-methoxybenzoyl)-methylamino]acetate is COC(=O)CN(C)C(=O)c1ccccc1OC.
What is the InChIKey of methyl 2-[(2-methoxybenzoyl)-methylamino]acetate?
The InChIKey is DKBGBPVZIMBTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-13(8-11(14)17-3)12(15)9-6-4-5-7-10(9)16-2/h4-7H,8H2,1-3H3.
What are the key properties of methyl 2-[(2-methoxybenzoyl)-methylamino]acetate?
methyl 2-[(2-methoxybenzoyl)-methylamino]acetate has a molecular weight of 237.25 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxybenzoyl)-methylamino]acetate is sourced from PubChem (CID 584991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).