2-[[2-[[2-(2-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid

C13H16N2O5 — CID 43387619

IUPAC2-[[2-[[2-(2-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid
SMILESCOc1ccccc1CC(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C13H16N2O5/c1-20-10-5-3-2-4-9(10)6-11(16)14-7-12(17)15-8-13(18)19/h2-5H,6-8H2,1H3,(H,14,16)(H,15,17)(H,18,19)
InChIKeyFHPAFVMUHVZJHL-UHFFFAOYSA-N
MW280.28 g/mol
LogP-0.45
Rot. Bonds7

About 2-[[2-[[2-(2-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid

2-[[2-[[2-(2-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid (PubChem CID 43387619) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-[[2-[[2-(2-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[2-(2-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid
PubChem CID43387619
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name2-[[2-[[2-(2-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid
SMILESCOc1ccccc1CC(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C13H16N2O5/c1-20-10-5-3-2-4-9(10)6-11(16)14-7-12(17)15-8-13(18)19/h2-5H,6-8H2,1H3,(H,14,16)(H,15,17)(H,18,19)
InChIKeyFHPAFVMUHVZJHL-UHFFFAOYSA-N
XLogP-0.45
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 ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2-methoxyphenyl)propanoylamino]acetic acid
CID 43091942
N-ethyl-2-(2-methoxyphenyl)acetamide
CID 3376729
N-(2-hydroxyethyl)-2-(2-methoxyphenyl)acetamide
CID 43388864
tert-butyl N-[2-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]carbamate
CID 108916244
2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid
CID 43241710
2-[(2-methoxyphenyl)methoxycarbonylamino]acetic acid
CID 95454152
(2S)-2-hydroxy-3-[[2-(2-methoxyphenyl)acetyl]amino]propanoic acid
CID 107832779
2-anilino-N-[(2-methoxyphenyl)methyl]acetamide
CID 60646954
N-(2-amino-2-methylpropyl)-2-(2-methoxyphenyl)acetamide
CID 81482461
2-[[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]acetyl]amino]acetic acid
CID 43387522
N-[2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 9270265
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110780208

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-(2-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[2-(2-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid (CID 43387619) is 2-[[2-[[2-(2-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[2-(2-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[2-(2-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid is COc1ccccc1CC(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[[2-(2-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid?
The InChIKey is FHPAFVMUHVZJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-20-10-5-3-2-4-9(10)6-11(16)14-7-12(17)15-8-13(18)19/h2-5H,6-8H2,1H3,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 2-[[2-[[2-(2-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid?
2-[[2-[[2-(2-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid has a molecular weight of 280.28 g/mol, XLogP of -0.45, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-(2-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 43387619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).