2-[2-[(Z)-methoxyiminomethyl]phenyl]acetic acid

C10H11NO3 — CID 86749984

IUPAC2-[2-[(Z)-methoxyiminomethyl]phenyl]acetic acid
SMILESCO/N=C\c1ccccc1CC(=O)O
InChIInChI=1S/C10H11NO3/c1-14-11-7-9-5-3-2-4-8(9)6-10(12)13/h2-5,7H,6H2,1H3,(H,12,13)/b11-7-
InChIKeyKMWWTZNMSMNDLG-XFFZJAGNSA-N
MW193.20 g/mol
LogP1.29
Rot. Bonds4

About 2-[2-[(Z)-methoxyiminomethyl]phenyl]acetic acid

2-[2-[(Z)-methoxyiminomethyl]phenyl]acetic acid (PubChem CID 86749984) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-[2-[(Z)-methoxyiminomethyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(Z)-methoxyiminomethyl]phenyl]acetic acid
PubChem CID86749984
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name2-[2-[(Z)-methoxyiminomethyl]phenyl]acetic acid
SMILESCO/N=C\c1ccccc1CC(=O)O
InChIInChI=1S/C10H11NO3/c1-14-11-7-9-5-3-2-4-8(9)6-10(12)13/h2-5,7H,6H2,1H3,(H,12,13)/b11-7-
InChIKeyKMWWTZNMSMNDLG-XFFZJAGNSA-N
XLogP1.29
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(Z)-N-methoxy-2-[2-[(Z)-methoxyiminomethyl]phenyl]ethanimine
CID 101041658
2-[2-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]acetic acid
CID 71623527
2-[(E)-methoxyiminomethyl]aniline
CID 13163169
S-[2-[(E)-methoxyiminomethyl]phenyl] N,N-dimethylcarbamothioate
CID 88689050
ethyl acetate;(E)-N-methoxy-1-phenylmethanimine
CID 174391278
2-[2-(methoxyiminomethyl)phenyl]-2-(2-methylphenoxy)acetic acid
CID 140999214
CID 172781001
CID 172781001
CID 172781038
CID 172781038
2-[(2-bromophenyl)methylideneamino]oxyacetic acid
CID 2336636
3-[2-(methoxymethyl)phenyl]-2-methylprop-2-enoic acid
CID 79725443
2-methoxy-6-(methoxyiminomethyl)phenol
CID 530390
N-methoxy-1-(2-propan-2-yloxyphenyl)methanimine
CID 73094502

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(Z)-methoxyiminomethyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[(Z)-methoxyiminomethyl]phenyl]acetic acid (CID 86749984) is 2-[2-[(Z)-methoxyiminomethyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(Z)-methoxyiminomethyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(Z)-methoxyiminomethyl]phenyl]acetic acid is CO/N=C\c1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-[(Z)-methoxyiminomethyl]phenyl]acetic acid?
The InChIKey is KMWWTZNMSMNDLG-XFFZJAGNSA-N. The full InChI is InChI=1S/C10H11NO3/c1-14-11-7-9-5-3-2-4-8(9)6-10(12)13/h2-5,7H,6H2,1H3,(H,12,13)/b11-7-.
What are the key properties of 2-[2-[(Z)-methoxyiminomethyl]phenyl]acetic acid?
2-[2-[(Z)-methoxyiminomethyl]phenyl]acetic acid has a molecular weight of 193.20 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(Z)-methoxyiminomethyl]phenyl]acetic acid is sourced from PubChem (CID 86749984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).