2-[3-(2-aminoethylamino)phenoxy]propanoic acid

C11H16N2O3 — CID 117097635

IUPAC2-[3-(2-aminoethylamino)phenoxy]propanoic acid
SMILESCC(Oc1cccc(NCCN)c1)C(=O)O
InChIInChI=1S/C11H16N2O3/c1-8(11(14)15)16-10-4-2-3-9(7-10)13-6-5-12/h2-4,7-8,13H,5-6,12H2,1H3,(H,14,15)
InChIKeyOJTAZEZIMBQZAC-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.91
Rot. Bonds6

About 2-[3-(2-aminoethylamino)phenoxy]propanoic acid

2-[3-(2-aminoethylamino)phenoxy]propanoic acid (PubChem CID 117097635) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[3-(2-aminoethylamino)phenoxy]propanoic acid.

Molecular Properties

Compound Name2-[3-(2-aminoethylamino)phenoxy]propanoic acid
PubChem CID117097635
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-[3-(2-aminoethylamino)phenoxy]propanoic acid
SMILESCC(Oc1cccc(NCCN)c1)C(=O)O
InChIInChI=1S/C11H16N2O3/c1-8(11(14)15)16-10-4-2-3-9(7-10)13-6-5-12/h2-4,7-8,13H,5-6,12H2,1H3,(H,14,15)
InChIKeyOJTAZEZIMBQZAC-UHFFFAOYSA-N
XLogP0.91
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-aminopropylamino)phenoxy]propanoic acid
CID 117097707
2-[3-[(3-aminopropylamino)methyl]phenoxy]propanoic acid
CID 70806512
5-[[3-(2-aminoethylamino)phenoxy]methyl]furan-2-carboxylic acid
CID 117097680
2-[3-(3-fluorophenyl)phenoxy]propanoic acid
CID 82044897
2-[3-(2-fluorophenyl)phenoxy]propanoic acid
CID 82044896
N-[2-(3-butan-2-yloxyanilino)ethyl]acetamide
CID 107529384
2-[3-(2-aminoethylamino)phenoxy]-1-pyrrolidin-1-ylethanone
CID 117097629
(2S)-2-(3-ethylphenoxy)propanoic acid
CID 10845483
2-amino-N-(3-propan-2-yloxyphenyl)acetamide
CID 39242033
2-phenoxypropanoic acid;hydrofluoride
CID 161153787
3-N-(2-aminoethyl)-1-N-(3-methylbutyl)benzene-1,3-diamine
CID 170004129
2-(4-anilinophenoxy)propanoic acid
CID 43519559

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethylamino)phenoxy]propanoic acid?
The IUPAC name of 2-[3-(2-aminoethylamino)phenoxy]propanoic acid (CID 117097635) is 2-[3-(2-aminoethylamino)phenoxy]propanoic acid.
What is the SMILES notation for 2-[3-(2-aminoethylamino)phenoxy]propanoic acid?
The canonical SMILES for 2-[3-(2-aminoethylamino)phenoxy]propanoic acid is CC(Oc1cccc(NCCN)c1)C(=O)O.
What is the InChIKey of 2-[3-(2-aminoethylamino)phenoxy]propanoic acid?
The InChIKey is OJTAZEZIMBQZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-8(11(14)15)16-10-4-2-3-9(7-10)13-6-5-12/h2-4,7-8,13H,5-6,12H2,1H3,(H,14,15).
What are the key properties of 2-[3-(2-aminoethylamino)phenoxy]propanoic acid?
2-[3-(2-aminoethylamino)phenoxy]propanoic acid has a molecular weight of 224.26 g/mol, XLogP of 0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethylamino)phenoxy]propanoic acid is sourced from PubChem (CID 117097635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).