2-[3-(1-aminoethyl)phenyl]acetic acid

C10H13NO2 — CID 55283105

IUPAC2-[3-(1-aminoethyl)phenyl]acetic acid
SMILESCC(N)c1cccc(CC(=O)O)c1
InChIInChI=1S/C10H13NO2/c1-7(11)9-4-2-3-8(5-9)6-10(12)13/h2-5,7H,6,11H2,1H3,(H,12,13)
InChIKeyCXRLAVXIYPQDBV-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.33
Rot. Bonds3

About 2-[3-(1-aminoethyl)phenyl]acetic acid

2-[3-(1-aminoethyl)phenyl]acetic acid (PubChem CID 55283105) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-[3-(1-aminoethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(1-aminoethyl)phenyl]acetic acid
PubChem CID55283105
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2-[3-(1-aminoethyl)phenyl]acetic acid
SMILESCC(N)c1cccc(CC(=O)O)c1
InChIInChI=1S/C10H13NO2/c1-7(11)9-4-2-3-8(5-9)6-10(12)13/h2-5,7H,6,11H2,1H3,(H,12,13)
InChIKeyCXRLAVXIYPQDBV-UHFFFAOYSA-N
XLogP1.33
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[(1S)-1-aminopropyl]phenyl]acetic acid
CID 55297522
2-[3-(1-aminopropyl)phenyl]acetic acid
CID 55297380
2-[3-(3-methylbutan-2-yl)phenyl]acetic acid
CID 115024785
2-[3-[hydroxy(phenyl)methyl]phenyl]acetic acid
CID 150412934
1-(3-benzylphenyl)ethanamine
CID 69109207
2-[3-(3-methyl-2-oxobutyl)phenyl]acetic acid
CID 21340968
[(2S)-1-[3-[(1S)-1-aminoethyl]phenyl]propan-2-yl]carbamic acid
CID 68872391
(1R)-1-(3-ethylphenyl)ethanamine
CID 55277637
3-[3-(carboxymethyl)phenyl]-2,3-dihydroxypropanoic acid
CID 170824264
2-(3-aminophenyl)acetic acid;propanoic acid
CID 175479045
2-[3-[(2R)-2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]acetic acid;hydrochloride
CID 68718395
2-[3-[(2S)-2-[[(1S)-1-phenylethyl]amino]propyl]phenyl]acetic acid;hydrochloride
CID 66782242

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminoethyl)phenyl]acetic acid?
The IUPAC name of 2-[3-(1-aminoethyl)phenyl]acetic acid (CID 55283105) is 2-[3-(1-aminoethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(1-aminoethyl)phenyl]acetic acid?
The canonical SMILES for 2-[3-(1-aminoethyl)phenyl]acetic acid is CC(N)c1cccc(CC(=O)O)c1.
What is the InChIKey of 2-[3-(1-aminoethyl)phenyl]acetic acid?
The InChIKey is CXRLAVXIYPQDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7(11)9-4-2-3-8(5-9)6-10(12)13/h2-5,7H,6,11H2,1H3,(H,12,13).
What are the key properties of 2-[3-(1-aminoethyl)phenyl]acetic acid?
2-[3-(1-aminoethyl)phenyl]acetic acid has a molecular weight of 179.22 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-aminoethyl)phenyl]acetic acid is sourced from PubChem (CID 55283105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).