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

C10H13NO2 — CID 18403500

IUPAC2-[3-(2-aminoethyl)phenyl]acetic acid
SMILESNCCc1cccc(CC(=O)O)c1
InChIInChI=1S/C10H13NO2/c11-5-4-8-2-1-3-9(6-8)7-10(12)13/h1-3,6H,4-5,7,11H2,(H,12,13)
InChIKeyNHJVLFAOSDNCOV-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.81
Rot. Bonds4

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

2-[3-(2-aminoethyl)phenyl]acetic acid (PubChem CID 18403500) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-[3-(2-aminoethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-aminoethyl)phenyl]acetic acid
PubChem CID18403500
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2-[3-(2-aminoethyl)phenyl]acetic acid
SMILESNCCc1cccc(CC(=O)O)c1
InChIInChI=1S/C10H13NO2/c11-5-4-8-2-1-3-9(6-8)7-10(12)13/h1-3,6H,4-5,7,11H2,(H,12,13)
InChIKeyNHJVLFAOSDNCOV-UHFFFAOYSA-N
XLogP0.81
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[3-(2-aminoethyl)phenyl]phenyl]acetic acid
CID 1392718
2-(3-benzylphenyl)acetic acid
CID 22590987
2-[3-(2-aminoethyl)phenyl]ethanol
CID 2749894
2-[3-(aminomethyl)phenyl]ethanamine
CID 67482147
1,3-bis[[3-(2-aminoethyl)phenyl]methyl]urea
CID 159960728
2-[3-(3-methyl-2-oxobutyl)phenyl]acetic acid
CID 21340968
2-[3-(2-aminoethyl)phenyl]ethanimidamide
CID 55252678
1-[6-[2-[3-(2-aminoethyl)phenyl]acetyl]-2-pyridinyl]-2-(3-propylphenyl)ethanone
CID 158579110
2-(3-hydrazinylphenyl)acetic acid
CID 57090948
2-(3-aminophenyl)acetic acid;propanoic acid
CID 175479045
2-phenylacetic acid;silver
CID 50912513
2-phenylacetic acid;dihydrate
CID 168967514

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethyl)phenyl]acetic acid?
The IUPAC name of 2-[3-(2-aminoethyl)phenyl]acetic acid (CID 18403500) is 2-[3-(2-aminoethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(2-aminoethyl)phenyl]acetic acid?
The canonical SMILES for 2-[3-(2-aminoethyl)phenyl]acetic acid is NCCc1cccc(CC(=O)O)c1.
What is the InChIKey of 2-[3-(2-aminoethyl)phenyl]acetic acid?
The InChIKey is NHJVLFAOSDNCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c11-5-4-8-2-1-3-9(6-8)7-10(12)13/h1-3,6H,4-5,7,11H2,(H,12,13).
What are the key properties of 2-[3-(2-aminoethyl)phenyl]acetic acid?
2-[3-(2-aminoethyl)phenyl]acetic acid has a molecular weight of 179.22 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethyl)phenyl]acetic acid is sourced from PubChem (CID 18403500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).