2-[2-(2-aminopropyl)phenoxy]acetic acid

C11H15NO3 — CID 170890895

IUPAC2-[2-(2-aminopropyl)phenoxy]acetic acid
SMILESCC(N)Cc1ccccc1OCC(=O)O
InChIInChI=1S/C11H15NO3/c1-8(12)6-9-4-2-3-5-10(9)15-7-11(13)14/h2-5,8H,6-7,12H2,1H3,(H,13,14)
InChIKeyMZIBHJHODYNFQH-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.04
Rot. Bonds5

About 2-[2-(2-aminopropyl)phenoxy]acetic acid

2-[2-(2-aminopropyl)phenoxy]acetic acid (PubChem CID 170890895) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-[2-(2-aminopropyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(2-aminopropyl)phenoxy]acetic acid
PubChem CID170890895
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name2-[2-(2-aminopropyl)phenoxy]acetic acid
SMILESCC(N)Cc1ccccc1OCC(=O)O
InChIInChI=1S/C11H15NO3/c1-8(12)6-9-4-2-3-5-10(9)15-7-11(13)14/h2-5,8H,6-7,12H2,1H3,(H,13,14)
InChIKeyMZIBHJHODYNFQH-UHFFFAOYSA-N
XLogP1.04
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)phenoxy]acetic acid
CID 15103326
methyl 3-[2-(2-aminopropyl)phenoxy]-2,2-dimethylpropanoate
CID 79621575
2-[2-(fluoromethyl)phenoxy]acetic acid
CID 70537240
2-[2-(hydrazinylmethyl)phenoxy]acetic acid
CID 130403139
2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate
CID 121199307
[2-(2-aminopropyl)phenyl] hydrogen sulfate
CID 67113989
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
2-[[2-(carboxymethoxy)phenyl]methylamino]-3-methylbutanoic acid
CID 102535695
2-amino-3-(2-ethoxyphenyl)propanoic acid
CID 4241494
2-[2-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetic acid
CID 63745357
2-[(2R)-2-aminopropyl]benzoic acid
CID 20581914
2-[2-(2-aminopropyl)phenoxy]acetonitrile
CID 60907829

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminopropyl)phenoxy]acetic acid?
The IUPAC name of 2-[2-(2-aminopropyl)phenoxy]acetic acid (CID 170890895) is 2-[2-(2-aminopropyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-(2-aminopropyl)phenoxy]acetic acid?
The canonical SMILES for 2-[2-(2-aminopropyl)phenoxy]acetic acid is CC(N)Cc1ccccc1OCC(=O)O.
What is the InChIKey of 2-[2-(2-aminopropyl)phenoxy]acetic acid?
The InChIKey is MZIBHJHODYNFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8(12)6-9-4-2-3-5-10(9)15-7-11(13)14/h2-5,8H,6-7,12H2,1H3,(H,13,14).
What are the key properties of 2-[2-(2-aminopropyl)phenoxy]acetic acid?
2-[2-(2-aminopropyl)phenoxy]acetic acid has a molecular weight of 209.25 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminopropyl)phenoxy]acetic acid is sourced from PubChem (CID 170890895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).