2-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]-(2-methylpropyl)amino]acetic acid

C16H22N2O6 — CID 119192734

IUPAC2-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]-(2-methylpropyl)amino]acetic acid
SMILESCOc1cc(C(=O)N(CC(=O)O)CC(C)C)ccc1OCC(N)=O
InChIInChI=1S/C16H22N2O6/c1-10(2)7-18(8-15(20)21)16(22)11-4-5-12(13(6-11)23-3)24-9-14(17)19/h4-6,10H,7-9H2,1-3H3,(H2,17,19)(H,20,21)
InChIKeyNESSPHKYCFRPOX-UHFFFAOYSA-N
MW338.36 g/mol
LogP0.74
Rot. Bonds9

About 2-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]-(2-methylpropyl)amino]acetic acid

2-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]-(2-methylpropyl)amino]acetic acid (PubChem CID 119192734) has the molecular formula C16H22N2O6 and a molecular weight of 338.36 g/mol. Its IUPAC name is 2-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]-(2-methylpropyl)amino]acetic acid
PubChem CID119192734
Molecular FormulaC16H22N2O6
Molecular Weight338.36 g/mol
Exact Mass338.15
IUPAC Name2-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]-(2-methylpropyl)amino]acetic acid
SMILESCOc1cc(C(=O)N(CC(=O)O)CC(C)C)ccc1OCC(N)=O
InChIInChI=1S/C16H22N2O6/c1-10(2)7-18(8-15(20)21)16(22)11-4-5-12(13(6-11)23-3)24-9-14(17)19/h4-6,10H,7-9H2,1-3H3,(H2,17,19)(H,20,21)
InChIKeyNESSPHKYCFRPOX-UHFFFAOYSA-N
XLogP0.74
TPSA119.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]-butan-2-ylamino]acetic acid
CID 119954727
2-[(3-methoxy-4-methylbenzoyl)-(2-methylpropyl)amino]acetic acid
CID 62033906
4-(2-amino-2-oxoethoxy)-3-methoxybenzamide
CID 47120011
2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]-(2-methylpropyl)amino]acetic acid
CID 120517125
2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-(2-methylpropyl)amino]acetic acid
CID 119192622
2-[(3,4-dimethoxybenzoyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid
CID 119197682
4-(2-amino-2-oxoethoxy)-N-cyclopropyl-3-methoxy-N-methylbenzamide
CID 47414265
(2S)-2-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]amino]propanoic acid
CID 119237902
4-(2-amino-2-oxoethoxy)-N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-methoxybenzamide
CID 119106484
4-(2-amino-2-oxoethoxy)-N-(3-aminopropyl)-N-benzyl-3-methoxybenzamide;hydrochloride
CID 120648526
2-[[3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzoyl]-methylamino]acetic acid
CID 119346726
2-[[2-(aminomethyl)pyridine-4-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 114326521

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]-(2-methylpropyl)amino]acetic acid (CID 119192734) is 2-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]-(2-methylpropyl)amino]acetic acid is COc1cc(C(=O)N(CC(=O)O)CC(C)C)ccc1OCC(N)=O.
What is the InChIKey of 2-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]-(2-methylpropyl)amino]acetic acid?
The InChIKey is NESSPHKYCFRPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O6/c1-10(2)7-18(8-15(20)21)16(22)11-4-5-12(13(6-11)23-3)24-9-14(17)19/h4-6,10H,7-9H2,1-3H3,(H2,17,19)(H,20,21).
What are the key properties of 2-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]-(2-methylpropyl)amino]acetic acid?
2-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]-(2-methylpropyl)amino]acetic acid has a molecular weight of 338.36 g/mol, XLogP of 0.74, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 119192734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).