2-[(2-amino-2-oxoethyl)-(2,6-dimethoxybenzoyl)amino]acetic acid

C13H16N2O6 — CID 107433700

IUPAC2-[(2-amino-2-oxoethyl)-(2,6-dimethoxybenzoyl)amino]acetic acid
SMILESCOc1cccc(OC)c1C(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C13H16N2O6/c1-20-8-4-3-5-9(21-2)12(8)13(19)15(6-10(14)16)7-11(17)18/h3-5H,6-7H2,1-2H3,(H2,14,16)(H,17,18)
InChIKeyAAQULNBHAKQWTC-UHFFFAOYSA-N
MW296.28 g/mol
LogP-0.28
Rot. Bonds7

About 2-[(2-amino-2-oxoethyl)-(2,6-dimethoxybenzoyl)amino]acetic acid

2-[(2-amino-2-oxoethyl)-(2,6-dimethoxybenzoyl)amino]acetic acid (PubChem CID 107433700) has the molecular formula C13H16N2O6 and a molecular weight of 296.28 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(2,6-dimethoxybenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(2,6-dimethoxybenzoyl)amino]acetic acid
PubChem CID107433700
Molecular FormulaC13H16N2O6
Molecular Weight296.28 g/mol
Exact Mass296.10
IUPAC Name2-[(2-amino-2-oxoethyl)-(2,6-dimethoxybenzoyl)amino]acetic acid
SMILESCOc1cccc(OC)c1C(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C13H16N2O6/c1-20-8-4-3-5-9(21-2)12(8)13(19)15(6-10(14)16)7-11(17)18/h3-5H,6-7H2,1-2H3,(H2,14,16)(H,17,18)
InChIKeyAAQULNBHAKQWTC-UHFFFAOYSA-N
XLogP-0.28
TPSA119.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-amino-2-oxoethyl)-(2-hydroxy-3-methoxybenzoyl)amino]acetic acid
CID 107433916
2-[(2-amino-2-oxoethyl)-[3-(2-methoxyphenyl)propanoyl]amino]acetic acid
CID 107434703
N,N-bis(2-amino-2-oxoethyl)-2,6-dihydroxybenzamide
CID 107689376
2-[(2-amino-2-oxoethyl)-[(4-methoxy-3-methylphenyl)carbamoyl]amino]acetic acid
CID 107438322
2-[(2-fluoro-6-methoxybenzoyl)-propan-2-ylamino]acetic acid
CID 65434755
5-amino-N,N-bis(2-amino-2-oxoethyl)-2-methoxybenzamide
CID 62921862
2-[(2-fluoro-6-methoxybenzoyl)-methylamino]acetic acid
CID 65432822
3-[carboxymethyl-(2-methoxybenzoyl)amino]propanoic acid
CID 82324907
2-[(2-amino-2-oxoethyl)-[(3-ethoxyphenyl)carbamoyl]amino]acetic acid
CID 107438347
4-(2,6-dimethoxyphenyl)-4-oxobutanamide
CID 70615258
2-[butan-2-yl-(2-fluoro-6-methoxybenzoyl)amino]acetic acid
CID 65432054
2-[acetyl-[(2-methoxyphenyl)methyl]amino]acetic acid
CID 82044282

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(2,6-dimethoxybenzoyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(2,6-dimethoxybenzoyl)amino]acetic acid (CID 107433700) is 2-[(2-amino-2-oxoethyl)-(2,6-dimethoxybenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(2,6-dimethoxybenzoyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(2,6-dimethoxybenzoyl)amino]acetic acid is COc1cccc(OC)c1C(=O)N(CC(N)=O)CC(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(2,6-dimethoxybenzoyl)amino]acetic acid?
The InChIKey is AAQULNBHAKQWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O6/c1-20-8-4-3-5-9(21-2)12(8)13(19)15(6-10(14)16)7-11(17)18/h3-5H,6-7H2,1-2H3,(H2,14,16)(H,17,18).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(2,6-dimethoxybenzoyl)amino]acetic acid?
2-[(2-amino-2-oxoethyl)-(2,6-dimethoxybenzoyl)amino]acetic acid has a molecular weight of 296.28 g/mol, XLogP of -0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(2,6-dimethoxybenzoyl)amino]acetic acid is sourced from PubChem (CID 107433700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).