2-(2-aminoethyl)-4-methoxybenzoic acid

C10H13NO3 — CID 83853053

IUPAC2-(2-aminoethyl)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(CCN)c1
InChIInChI=1S/C10H13NO3/c1-14-8-2-3-9(10(12)13)7(6-8)4-5-11/h2-3,6H,4-5,11H2,1H3,(H,12,13)
InChIKeyMBOJHOCITGCYLS-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.89
Rot. Bonds4

About 2-(2-aminoethyl)-4-methoxybenzoic acid

2-(2-aminoethyl)-4-methoxybenzoic acid (PubChem CID 83853053) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4-methoxybenzoic acid.

Molecular Properties

Compound Name2-(2-aminoethyl)-4-methoxybenzoic acid
PubChem CID83853053
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-(2-aminoethyl)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(CCN)c1
InChIInChI=1S/C10H13NO3/c1-14-8-2-3-9(10(12)13)7(6-8)4-5-11/h2-3,6H,4-5,11H2,1H3,(H,12,13)
InChIKeyMBOJHOCITGCYLS-UHFFFAOYSA-N
XLogP0.89
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminoethyl)-4-methoxyphenyl]acetic acid
CID 168876495
2-heptyl-4-methoxybenzoic acid
CID 174870119
4-methoxy-2-(2-oxoethyl)benzoic acid
CID 75466148
2-[2-(furan-3-yl)ethyl]-4-methoxybenzoic acid
CID 167607988
2-(2-bromo-5-methoxyphenyl)ethanamine
CID 46831332
2-(2-chloroethyl)-4-methoxybenzoyl chloride;4-methoxy-2-methylbenzoic acid
CID 159639357
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
2-(2-bromo-5-methoxyphenyl)ethanamine;hydrochloride
CID 53493299
2-(2-chloro-5-methoxyphenyl)ethanamine;hydrochloride
CID 11687211
2-[2-(2-aminoethyl)-4-methoxyphenoxy]propanamide
CID 54931370
2-[2-(2-aminoethyl)-5-methoxyphenoxy]propanoic acid
CID 55134399

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-4-methoxybenzoic acid?
The IUPAC name of 2-(2-aminoethyl)-4-methoxybenzoic acid (CID 83853053) is 2-(2-aminoethyl)-4-methoxybenzoic acid.
What is the SMILES notation for 2-(2-aminoethyl)-4-methoxybenzoic acid?
The canonical SMILES for 2-(2-aminoethyl)-4-methoxybenzoic acid is COc1ccc(C(=O)O)c(CCN)c1.
What is the InChIKey of 2-(2-aminoethyl)-4-methoxybenzoic acid?
The InChIKey is MBOJHOCITGCYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-14-8-2-3-9(10(12)13)7(6-8)4-5-11/h2-3,6H,4-5,11H2,1H3,(H,12,13).
What are the key properties of 2-(2-aminoethyl)-4-methoxybenzoic acid?
2-(2-aminoethyl)-4-methoxybenzoic acid has a molecular weight of 195.22 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-4-methoxybenzoic acid is sourced from PubChem (CID 83853053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).