2-[carboxymethyl-[(Z)-(2-ethoxy-3-methoxyphenyl)methylideneamino]amino]acetic acid

C14H18N2O6 — CID 110507010

IUPAC2-[carboxymethyl-[(Z)-(2-ethoxy-3-methoxyphenyl)methylideneamino]amino]acetic acid
SMILESCCOc1c(/C=N\N(CC(=O)O)CC(=O)O)cccc1OC
InChIInChI=1S/C14H18N2O6/c1-3-22-14-10(5-4-6-11(14)21-2)7-15-16(8-12(17)18)9-13(19)20/h4-7H,3,8-9H2,1-2H3,(H,17,18)(H,19,20)/b15-7-
InChIKeyRLCKXKUENJFRLN-CHHVJCJISA-N
MW310.31 g/mol
LogP0.90
Rot. Bonds9

About 2-[carboxymethyl-[(Z)-(2-ethoxy-3-methoxyphenyl)methylideneamino]amino]acetic acid

2-[carboxymethyl-[(Z)-(2-ethoxy-3-methoxyphenyl)methylideneamino]amino]acetic acid (PubChem CID 110507010) has the molecular formula C14H18N2O6 and a molecular weight of 310.31 g/mol. Its IUPAC name is 2-[carboxymethyl-[(Z)-(2-ethoxy-3-methoxyphenyl)methylideneamino]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[(Z)-(2-ethoxy-3-methoxyphenyl)methylideneamino]amino]acetic acid
PubChem CID110507010
Molecular FormulaC14H18N2O6
Molecular Weight310.31 g/mol
Exact Mass310.12
IUPAC Name2-[carboxymethyl-[(Z)-(2-ethoxy-3-methoxyphenyl)methylideneamino]amino]acetic acid
SMILESCCOc1c(/C=N\N(CC(=O)O)CC(=O)O)cccc1OC
InChIInChI=1S/C14H18N2O6/c1-3-22-14-10(5-4-6-11(14)21-2)7-15-16(8-12(17)18)9-13(19)20/h4-7H,3,8-9H2,1-2H3,(H,17,18)(H,19,20)/b15-7-
InChIKeyRLCKXKUENJFRLN-CHHVJCJISA-N
XLogP0.90
TPSA108.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[(2-ethoxy-3-methoxyphenyl)methylidene]hydroxylamine
CID 23722991
(E)-3-(2-ethoxy-3-methoxyphenyl)prop-2-enoyl chloride
CID 82041550
1-ethenyl-2-ethoxy-3-methoxybenzene
CID 11629687
N-[(Z)-(2-ethoxy-3-methoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 110509480
N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]pentanamide
CID 110506839
2-[[(Z)-(2-bromo-3-hydroxy-4-methoxyphenyl)methylideneamino]-(carboxymethyl)amino]acetic acid
CID 110506991
(Z)-3-(2-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid
CID 20988799
N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 5115888
N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
CID 5244595
(Z)-3-(2-ethoxy-3-methoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid
CID 83951771
2-(2-formyl-6-methoxyphenoxy)acetic acid
CID 737589
N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 110506616

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[(Z)-(2-ethoxy-3-methoxyphenyl)methylideneamino]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[(Z)-(2-ethoxy-3-methoxyphenyl)methylideneamino]amino]acetic acid (CID 110507010) is 2-[carboxymethyl-[(Z)-(2-ethoxy-3-methoxyphenyl)methylideneamino]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[(Z)-(2-ethoxy-3-methoxyphenyl)methylideneamino]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[(Z)-(2-ethoxy-3-methoxyphenyl)methylideneamino]amino]acetic acid is CCOc1c(/C=N\N(CC(=O)O)CC(=O)O)cccc1OC.
What is the InChIKey of 2-[carboxymethyl-[(Z)-(2-ethoxy-3-methoxyphenyl)methylideneamino]amino]acetic acid?
The InChIKey is RLCKXKUENJFRLN-CHHVJCJISA-N. The full InChI is InChI=1S/C14H18N2O6/c1-3-22-14-10(5-4-6-11(14)21-2)7-15-16(8-12(17)18)9-13(19)20/h4-7H,3,8-9H2,1-2H3,(H,17,18)(H,19,20)/b15-7-.
What are the key properties of 2-[carboxymethyl-[(Z)-(2-ethoxy-3-methoxyphenyl)methylideneamino]amino]acetic acid?
2-[carboxymethyl-[(Z)-(2-ethoxy-3-methoxyphenyl)methylideneamino]amino]acetic acid has a molecular weight of 310.31 g/mol, XLogP of 0.90, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[(Z)-(2-ethoxy-3-methoxyphenyl)methylideneamino]amino]acetic acid is sourced from PubChem (CID 110507010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).