2-[[4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoyl]-methylamino]-2-methylpropanoic acid

C16H22N2O7 — CID 119200187

IUPAC2-[[4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoyl]-methylamino]-2-methylpropanoic acid
SMILESCOc1cc(C(=O)N(C)C(C)(C)C(=O)O)cc(OC)c1OCC(N)=O
InChIInChI=1S/C16H22N2O7/c1-16(2,15(21)22)18(3)14(20)9-6-10(23-4)13(11(7-9)24-5)25-8-12(17)19/h6-7H,8H2,1-5H3,(H2,17,19)(H,21,22)
InChIKeyAVBYDHFBKVYZTJ-UHFFFAOYSA-N
MW354.36 g/mol
LogP0.50
Rot. Bonds8

About 2-[[4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoyl]-methylamino]-2-methylpropanoic acid

2-[[4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoyl]-methylamino]-2-methylpropanoic acid (PubChem CID 119200187) has the molecular formula C16H22N2O7 and a molecular weight of 354.36 g/mol. Its IUPAC name is 2-[[4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoyl]-methylamino]-2-methylpropanoic acid
PubChem CID119200187
Molecular FormulaC16H22N2O7
Molecular Weight354.36 g/mol
Exact Mass354.14
IUPAC Name2-[[4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoyl]-methylamino]-2-methylpropanoic acid
SMILESCOc1cc(C(=O)N(C)C(C)(C)C(=O)O)cc(OC)c1OCC(N)=O
InChIInChI=1S/C16H22N2O7/c1-16(2,15(21)22)18(3)14(20)9-6-10(23-4)13(11(7-9)24-5)25-8-12(17)19/h6-7H,8H2,1-5H3,(H2,17,19)(H,21,22)
InChIKeyAVBYDHFBKVYZTJ-UHFFFAOYSA-N
XLogP0.50
TPSA128.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-methoxy-4-methylbenzoyl)-methylamino]-2-methylpropanoic acid
CID 62817918
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 55579899
4-(2-amino-2-oxoethoxy)-N-benzyl-3,5-dimethoxy-N-phenylbenzamide
CID 55429568
4-(2-amino-2-oxoethoxy)-N-benzyl-3,5-dimethoxy-N-propan-2-ylbenzamide
CID 30100434
4-(2-amino-2-oxoethoxy)-N-(1-aminopropan-2-yl)-3-chloro-5-methoxy-N-methylbenzamide
CID 119584039
2-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]-methylamino]-2-methylpropanoic acid
CID 120518643
N-(2-amino-2-methylpropyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride
CID 119629178
2-[[4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoyl]amino]-3-methylbutanoic acid
CID 119169977
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 18168727
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-phenyl-N-propan-2-ylbenzamide
CID 55920599
4-(2-amino-2-oxoethoxy)-N-(2-amino-2-phenylethyl)-3,5-dimethoxybenzamide
CID 119527473
N-(3-amino-4-methylpentyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-methylbenzamide
CID 119660135

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[[4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoyl]-methylamino]-2-methylpropanoic acid (CID 119200187) is 2-[[4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoyl]-methylamino]-2-methylpropanoic acid is COc1cc(C(=O)N(C)C(C)(C)C(=O)O)cc(OC)c1OCC(N)=O.
What is the InChIKey of 2-[[4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is AVBYDHFBKVYZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O7/c1-16(2,15(21)22)18(3)14(20)9-6-10(23-4)13(11(7-9)24-5)25-8-12(17)19/h6-7H,8H2,1-5H3,(H2,17,19)(H,21,22).
What are the key properties of 2-[[4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoyl]-methylamino]-2-methylpropanoic acid?
2-[[4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 354.36 g/mol, XLogP of 0.50, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 119200187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).