2-[N-(carboxymethyl)-4-methoxyanilino]acetic acid

C11H13NO5 — CID 4712243

IUPAC2-[N-(carboxymethyl)-4-methoxyanilino]acetic acid
SMILESCOc1ccc(N(CC(=O)O)CC(=O)O)cc1
InChIInChI=1S/C11H13NO5/c1-17-9-4-2-8(3-5-9)12(6-10(13)14)7-11(15)16/h2-5H,6-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyFTEFUVAUCUCFIK-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.67
Rot. Bonds6

About 2-[N-(carboxymethyl)-4-methoxyanilino]acetic acid

2-[N-(carboxymethyl)-4-methoxyanilino]acetic acid (PubChem CID 4712243) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-[N-(carboxymethyl)-4-methoxyanilino]acetic acid.

Molecular Properties

Compound Name2-[N-(carboxymethyl)-4-methoxyanilino]acetic acid
PubChem CID4712243
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name2-[N-(carboxymethyl)-4-methoxyanilino]acetic acid
SMILESCOc1ccc(N(CC(=O)O)CC(=O)O)cc1
InChIInChI=1S/C11H13NO5/c1-17-9-4-2-8(3-5-9)12(6-10(13)14)7-11(15)16/h2-5H,6-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyFTEFUVAUCUCFIK-UHFFFAOYSA-N
XLogP0.67
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[N-(carboxymethyl)-3-methoxyanilino]acetic acid;2-[N-(carboxymethyl)-4-methoxyanilino]acetic acid
CID 122452807
2-(N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-4-methoxyanilino)acetic acid
CID 25220062
2-(4-methoxy-N-[2-[(4-methylpiperazin-1-yl)amino]-2-oxoethyl]anilino)acetic acid
CID 25219972
2-[carboxymethyl-[(4-methoxyphenyl)-methylcarbamoyl]amino]acetic acid
CID 63644464
2-(N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-4-methoxyanilino)acetic acid
CID 25219956
2-[N-(2,2-dimethylpropanoyl)-4-methoxyanilino]acetic acid
CID 28765944
2-(4-methoxy-N-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]anilino)acetic acid
CID 25220045
carbamic acid;2-[N-(2-hydroxyethyl)-4-methoxyanilino]ethanol
CID 71435780
2-(N-butanoyl-4-methoxyanilino)acetic acid
CID 28765925
2-[ethyl-[(4-methoxyphenyl)-methylcarbamoyl]amino]acetic acid
CID 62002689
3-[N-(cyanomethyl)-4-methoxyanilino]propanoic acid
CID 82318373
2-(N-[2-(4-fluoroanilino)-2-oxoethyl]-4-methoxyanilino)-N-(4-fluorophenyl)acetamide
CID 55483246

Frequently Asked Questions

What is the IUPAC name of 2-[N-(carboxymethyl)-4-methoxyanilino]acetic acid?
The IUPAC name of 2-[N-(carboxymethyl)-4-methoxyanilino]acetic acid (CID 4712243) is 2-[N-(carboxymethyl)-4-methoxyanilino]acetic acid.
What is the SMILES notation for 2-[N-(carboxymethyl)-4-methoxyanilino]acetic acid?
The canonical SMILES for 2-[N-(carboxymethyl)-4-methoxyanilino]acetic acid is COc1ccc(N(CC(=O)O)CC(=O)O)cc1.
What is the InChIKey of 2-[N-(carboxymethyl)-4-methoxyanilino]acetic acid?
The InChIKey is FTEFUVAUCUCFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c1-17-9-4-2-8(3-5-9)12(6-10(13)14)7-11(15)16/h2-5H,6-7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[N-(carboxymethyl)-4-methoxyanilino]acetic acid?
2-[N-(carboxymethyl)-4-methoxyanilino]acetic acid has a molecular weight of 239.23 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(carboxymethyl)-4-methoxyanilino]acetic acid is sourced from PubChem (CID 4712243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).