2-[[2-[4-[(2-methoxyacetyl)amino]phenyl]acetyl]amino]acetic acid

C13H16N2O5 — CID 119224391

IUPAC2-[[2-[4-[(2-methoxyacetyl)amino]phenyl]acetyl]amino]acetic acid
SMILESCOCC(=O)Nc1ccc(CC(=O)NCC(=O)O)cc1
InChIInChI=1S/C13H16N2O5/c1-20-8-12(17)15-10-4-2-9(3-5-10)6-11(16)14-7-13(18)19/h2-5H,6-8H2,1H3,(H,14,16)(H,15,17)(H,18,19)
InChIKeyWSEFXVQNZBXNHF-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.01
Rot. Bonds7

About 2-[[2-[4-[(2-methoxyacetyl)amino]phenyl]acetyl]amino]acetic acid

2-[[2-[4-[(2-methoxyacetyl)amino]phenyl]acetyl]amino]acetic acid (PubChem CID 119224391) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-[[2-[4-[(2-methoxyacetyl)amino]phenyl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[4-[(2-methoxyacetyl)amino]phenyl]acetyl]amino]acetic acid
PubChem CID119224391
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name2-[[2-[4-[(2-methoxyacetyl)amino]phenyl]acetyl]amino]acetic acid
SMILESCOCC(=O)Nc1ccc(CC(=O)NCC(=O)O)cc1
InChIInChI=1S/C13H16N2O5/c1-20-8-12(17)15-10-4-2-9(3-5-10)6-11(16)14-7-13(18)19/h2-5H,6-8H2,1H3,(H,14,16)(H,15,17)(H,18,19)
InChIKeyWSEFXVQNZBXNHF-UHFFFAOYSA-N
XLogP0.01
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224501
2-[[2-[4-[3-(4-methoxyphenyl)propanoylamino]phenyl]acetyl]amino]acetic acid
CID 119224448
2-[[2-[4-[(2-cyclopentyloxyacetyl)amino]phenyl]acetyl]amino]acetic acid
CID 119224317
N-[4-(hydroxymethyl)phenyl]-2-methoxyacetamide
CID 64794296
2-[[2-[4-[[2-(3,3-dimethylbutanoylamino)acetyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224549
N-[2-(4-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112998708
2-[[2-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224414
2-[[2-[4-[[4-(ethylsulfanylmethyl)benzoyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224270
[2-(4-ethylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8524003
4-[(2-methoxyacetyl)amino]-N-phenylbenzamide
CID 138999243
2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 43708154
N-(4-hydrazinylphenyl)-2-methoxyacetamide
CID 141361616

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-[(2-methoxyacetyl)amino]phenyl]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[4-[(2-methoxyacetyl)amino]phenyl]acetyl]amino]acetic acid (CID 119224391) is 2-[[2-[4-[(2-methoxyacetyl)amino]phenyl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[4-[(2-methoxyacetyl)amino]phenyl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[4-[(2-methoxyacetyl)amino]phenyl]acetyl]amino]acetic acid is COCC(=O)Nc1ccc(CC(=O)NCC(=O)O)cc1.
What is the InChIKey of 2-[[2-[4-[(2-methoxyacetyl)amino]phenyl]acetyl]amino]acetic acid?
The InChIKey is WSEFXVQNZBXNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-20-8-12(17)15-10-4-2-9(3-5-10)6-11(16)14-7-13(18)19/h2-5H,6-8H2,1H3,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 2-[[2-[4-[(2-methoxyacetyl)amino]phenyl]acetyl]amino]acetic acid?
2-[[2-[4-[(2-methoxyacetyl)amino]phenyl]acetyl]amino]acetic acid has a molecular weight of 280.28 g/mol, XLogP of 0.01, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-[(2-methoxyacetyl)amino]phenyl]acetyl]amino]acetic acid is sourced from PubChem (CID 119224391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).