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

C11H12N2O5 — CID 110507165

IUPAC2-[carboxymethyl-[(Z)-(3-hydroxyphenyl)methylideneamino]amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)/N=C\c1cccc(O)c1
InChIInChI=1S/C11H12N2O5/c14-9-3-1-2-8(4-9)5-12-13(6-10(15)16)7-11(17)18/h1-5,14H,6-7H2,(H,15,16)(H,17,18)/b12-5-
InChIKeyAUKOFTPPVMWDRA-XGICHPGQSA-N
MW252.23 g/mol
LogP0.20
Rot. Bonds6

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

2-[carboxymethyl-[(Z)-(3-hydroxyphenyl)methylideneamino]amino]acetic acid (PubChem CID 110507165) has the molecular formula C11H12N2O5 and a molecular weight of 252.23 g/mol. Its IUPAC name is 2-[carboxymethyl-[(Z)-(3-hydroxyphenyl)methylideneamino]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[(Z)-(3-hydroxyphenyl)methylideneamino]amino]acetic acid
PubChem CID110507165
Molecular FormulaC11H12N2O5
Molecular Weight252.23 g/mol
Exact Mass252.07
IUPAC Name2-[carboxymethyl-[(Z)-(3-hydroxyphenyl)methylideneamino]amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)/N=C\c1cccc(O)c1
InChIInChI=1S/C11H12N2O5/c14-9-3-1-2-8(4-9)5-12-13(6-10(15)16)7-11(17)18/h1-5,14H,6-7H2,(H,15,16)(H,17,18)/b12-5-
InChIKeyAUKOFTPPVMWDRA-XGICHPGQSA-N
XLogP0.20
TPSA110.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

3-[3-[(3-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol
CID 91295364
6-(3-hydroxyphenyl)-4-oxohex-5-enoic acid
CID 2797782
ethyl N-[(E)-(3-hydroxyphenyl)methylideneamino]carbamate
CID 6861610
1-amino-3-[(Z)-(3-hydroxyphenyl)methylideneamino]urea
CID 5380313
2-[4-[(E)-2-(3-hydroxyphenyl)ethenyl]pyridin-1-ium-1-yl]acetic acid
CID 13067982
benzene-1,3-diol;3-oxopropanoic acid
CID 138611766
2-[carboxymethyl-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]amino]acetic acid
CID 136786717
3-(3-methanehydrazonoylphenyl)phenol
CID 168529657
(2S)-3-hydroxy-2-[(3-hydroxyphenyl)methylideneamino]-N-methylpropanamide
CID 58070218
N-[(3-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 2692691
benzene-1,3-diol;2-[2-(carboxymethyl)phenyl]acetic acid
CID 21468463
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 5427556

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[(Z)-(3-hydroxyphenyl)methylideneamino]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[(Z)-(3-hydroxyphenyl)methylideneamino]amino]acetic acid (CID 110507165) is 2-[carboxymethyl-[(Z)-(3-hydroxyphenyl)methylideneamino]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[(Z)-(3-hydroxyphenyl)methylideneamino]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[(Z)-(3-hydroxyphenyl)methylideneamino]amino]acetic acid is O=C(O)CN(CC(=O)O)/N=C\c1cccc(O)c1.
What is the InChIKey of 2-[carboxymethyl-[(Z)-(3-hydroxyphenyl)methylideneamino]amino]acetic acid?
The InChIKey is AUKOFTPPVMWDRA-XGICHPGQSA-N. The full InChI is InChI=1S/C11H12N2O5/c14-9-3-1-2-8(4-9)5-12-13(6-10(15)16)7-11(17)18/h1-5,14H,6-7H2,(H,15,16)(H,17,18)/b12-5-.
What are the key properties of 2-[carboxymethyl-[(Z)-(3-hydroxyphenyl)methylideneamino]amino]acetic acid?
2-[carboxymethyl-[(Z)-(3-hydroxyphenyl)methylideneamino]amino]acetic acid has a molecular weight of 252.23 g/mol, XLogP of 0.20, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[(Z)-(3-hydroxyphenyl)methylideneamino]amino]acetic acid is sourced from PubChem (CID 110507165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).