2-(2-amino-3-methylphenoxy)acetic acid

C9H11NO3 — CID 61261601

IUPAC2-(2-amino-3-methylphenoxy)acetic acid
SMILESCc1cccc(OCC(=O)O)c1N
InChIInChI=1S/C9H11NO3/c1-6-3-2-4-7(9(6)10)13-5-8(11)12/h2-4H,5,10H2,1H3,(H,11,12)
InChIKeyFEFYNNSDYLRCMB-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.04
Rot. Bonds3

About 2-(2-amino-3-methylphenoxy)acetic acid

2-(2-amino-3-methylphenoxy)acetic acid (PubChem CID 61261601) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-(2-amino-3-methylphenoxy)acetic acid.

Molecular Properties

Compound Name2-(2-amino-3-methylphenoxy)acetic acid
PubChem CID61261601
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name2-(2-amino-3-methylphenoxy)acetic acid
SMILESCc1cccc(OCC(=O)O)c1N
InChIInChI=1S/C9H11NO3/c1-6-3-2-4-7(9(6)10)13-5-8(11)12/h2-4H,5,10H2,1H3,(H,11,12)
InChIKeyFEFYNNSDYLRCMB-UHFFFAOYSA-N
XLogP1.04
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-3-methylphenoxy)-N-benzylacetamide
CID 43437998
2-(3-methyl-2-nitrophenoxy)acetic acid
CID 43437973
2-[2-(2-amino-3-methylphenoxy)ethoxy]-6-methylaniline
CID 153401307
2-(2-amino-3-methylphenoxy)-N-(2-methylpropyl)acetamide
CID 43438102
2-(2-amino-3-methylphenoxy)-N-butylacetamide
CID 54956172
2-methyl-6-(3-methylbut-2-enoxy)aniline
CID 107899463
2-(2-amino-3-methylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 43438063
methyl 4-(2-amino-3-methylphenoxy)butanoate
CID 43437986
2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate
CID 121199307
2-(2-aminoethoxy)-6-methylaniline
CID 82502971
2-(3-ethyl-2-methylphenoxy)acetic acid
CID 165357581
2-[2-amino-3-(4-bromobenzoyl)phenoxy]acetic acid
CID 169224678

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-methylphenoxy)acetic acid?
The IUPAC name of 2-(2-amino-3-methylphenoxy)acetic acid (CID 61261601) is 2-(2-amino-3-methylphenoxy)acetic acid.
What is the SMILES notation for 2-(2-amino-3-methylphenoxy)acetic acid?
The canonical SMILES for 2-(2-amino-3-methylphenoxy)acetic acid is Cc1cccc(OCC(=O)O)c1N.
What is the InChIKey of 2-(2-amino-3-methylphenoxy)acetic acid?
The InChIKey is FEFYNNSDYLRCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-6-3-2-4-7(9(6)10)13-5-8(11)12/h2-4H,5,10H2,1H3,(H,11,12).
What are the key properties of 2-(2-amino-3-methylphenoxy)acetic acid?
2-(2-amino-3-methylphenoxy)acetic acid has a molecular weight of 181.19 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-methylphenoxy)acetic acid is sourced from PubChem (CID 61261601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).