2-[2-amino-5-(methylaminomethyl)phenoxy]acetic acid

C10H14N2O3 — CID 88996156

IUPAC2-[2-amino-5-(methylaminomethyl)phenoxy]acetic acid
SMILESCNCc1ccc(N)c(OCC(=O)O)c1
InChIInChI=1S/C10H14N2O3/c1-12-5-7-2-3-8(11)9(4-7)15-6-10(13)14/h2-4,12H,5-6,11H2,1H3,(H,13,14)
InChIKeyFPMKAAVPHIMZMW-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.45
Rot. Bonds5

About 2-[2-amino-5-(methylaminomethyl)phenoxy]acetic acid

2-[2-amino-5-(methylaminomethyl)phenoxy]acetic acid (PubChem CID 88996156) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-[2-amino-5-(methylaminomethyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-amino-5-(methylaminomethyl)phenoxy]acetic acid
PubChem CID88996156
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-[2-amino-5-(methylaminomethyl)phenoxy]acetic acid
SMILESCNCc1ccc(N)c(OCC(=O)O)c1
InChIInChI=1S/C10H14N2O3/c1-12-5-7-2-3-8(11)9(4-7)15-6-10(13)14/h2-4,12H,5-6,11H2,1H3,(H,13,14)
InChIKeyFPMKAAVPHIMZMW-UHFFFAOYSA-N
XLogP0.45
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-(carboxymethoxy)benzoic acid
CID 11310358
methyl 2-[2-methoxy-4-(methylaminomethyl)phenoxy]acetate
CID 60882991
2-[4-[(4-amino-3-methylphenyl)methyl]phenoxy]acetic acid
CID 132531951
methyl 2-[2-fluoro-4-(methylaminomethyl)phenoxy]acetate
CID 107686567
2-[2-methoxy-4-(methylaminomethyl)phenoxy]-N-phenylacetamide
CID 2982194
2-[2-bromo-4-(methylaminomethyl)phenoxy]-N-methylacetamide
CID 63044978
2-[2-methoxy-5-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 43278726
methyl 2-(4-amino-3-ethoxyphenyl)acetate
CID 146285643
2-[2-methoxy-4-[(prop-2-enylamino)methyl]phenoxy]acetic acid
CID 102535724
2-(5-ethyl-2-fluorophenoxy)acetic acid
CID 89304520
2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-phenylacetamide
CID 107686457
2-[2-methoxy-5-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 43278737

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(methylaminomethyl)phenoxy]acetic acid?
The IUPAC name of 2-[2-amino-5-(methylaminomethyl)phenoxy]acetic acid (CID 88996156) is 2-[2-amino-5-(methylaminomethyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-amino-5-(methylaminomethyl)phenoxy]acetic acid?
The canonical SMILES for 2-[2-amino-5-(methylaminomethyl)phenoxy]acetic acid is CNCc1ccc(N)c(OCC(=O)O)c1.
What is the InChIKey of 2-[2-amino-5-(methylaminomethyl)phenoxy]acetic acid?
The InChIKey is FPMKAAVPHIMZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-12-5-7-2-3-8(11)9(4-7)15-6-10(13)14/h2-4,12H,5-6,11H2,1H3,(H,13,14).
What are the key properties of 2-[2-amino-5-(methylaminomethyl)phenoxy]acetic acid?
2-[2-amino-5-(methylaminomethyl)phenoxy]acetic acid has a molecular weight of 210.23 g/mol, XLogP of 0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(methylaminomethyl)phenoxy]acetic acid is sourced from PubChem (CID 88996156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).