2-(methylamino)-2-phenoxyacetic acid

C9H11NO3 — CID 150857951

IUPAC2-(methylamino)-2-phenoxyacetic acid
SMILESCNC(Oc1ccccc1)C(=O)O
InChIInChI=1S/C9H11NO3/c1-10-8(9(11)12)13-7-5-3-2-4-6-7/h2-6,8,10H,1H3,(H,11,12)
InChIKeyKRKAFUAERDVSAG-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.70
Rot. Bonds4

About 2-(methylamino)-2-phenoxyacetic acid

2-(methylamino)-2-phenoxyacetic acid (PubChem CID 150857951) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-(methylamino)-2-phenoxyacetic acid.

Molecular Properties

Compound Name2-(methylamino)-2-phenoxyacetic acid
PubChem CID150857951
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name2-(methylamino)-2-phenoxyacetic acid
SMILESCNC(Oc1ccccc1)C(=O)O
InChIInChI=1S/C9H11NO3/c1-10-8(9(11)12)13-7-5-3-2-4-6-7/h2-6,8,10H,1H3,(H,11,12)
InChIKeyKRKAFUAERDVSAG-UHFFFAOYSA-N
XLogP0.70
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[[(2S)-2-aminopropanoyl]amino]-2-phenoxyacetic acid
CID 71407773
2-phenoxypropanoic acid;hydrofluoride
CID 161153787
N-methyl-2-phenoxypropanamide
CID 4626974
sodium;hydride;2-phenoxypropanoic acid
CID 174562261
potassium;hydride;2-phenoxypropanoic acid
CID 174805355
2-methoxy-N-methyl-2-phenoxyacetamide
CID 69350030
[1-(methylamino)-2-oxo-2-phenoxyethyl] benzoate
CID 175111678
ethyl 2-(carbamoylamino)-2-phenoxyacetate
CID 154269905
2-(2-phenoxypropanoylamino)propanoic acid
CID 43092023
2-(4-phenoxyphenoxy)propanedioic acid
CID 18516803
2-(4-methylphenoxy)-2-phenoxyacetic acid
CID 151278222
(2S)-N-[2,6-di(propan-2-yl)phenyl]-2-phenoxypropanamide
CID 8779154

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-2-phenoxyacetic acid?
The IUPAC name of 2-(methylamino)-2-phenoxyacetic acid (CID 150857951) is 2-(methylamino)-2-phenoxyacetic acid.
What is the SMILES notation for 2-(methylamino)-2-phenoxyacetic acid?
The canonical SMILES for 2-(methylamino)-2-phenoxyacetic acid is CNC(Oc1ccccc1)C(=O)O.
What is the InChIKey of 2-(methylamino)-2-phenoxyacetic acid?
The InChIKey is KRKAFUAERDVSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-10-8(9(11)12)13-7-5-3-2-4-6-7/h2-6,8,10H,1H3,(H,11,12).
What are the key properties of 2-(methylamino)-2-phenoxyacetic acid?
2-(methylamino)-2-phenoxyacetic acid has a molecular weight of 181.19 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-2-phenoxyacetic acid is sourced from PubChem (CID 150857951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).