5-(1-aminoethyl)-2-methoxybenzoic acid

C10H13NO3 — CID 105448790

IUPAC5-(1-aminoethyl)-2-methoxybenzoic acid
SMILESCOc1ccc(C(C)N)cc1C(=O)O
InChIInChI=1S/C10H13NO3/c1-6(11)7-3-4-9(14-2)8(5-7)10(12)13/h3-6H,11H2,1-2H3,(H,12,13)
InChIKeyPKBHHTIZAKHHCI-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.41
Rot. Bonds3

About 5-(1-aminoethyl)-2-methoxybenzoic acid

5-(1-aminoethyl)-2-methoxybenzoic acid (PubChem CID 105448790) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 5-(1-aminoethyl)-2-methoxybenzoic acid.

Molecular Properties

Compound Name5-(1-aminoethyl)-2-methoxybenzoic acid
PubChem CID105448790
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name5-(1-aminoethyl)-2-methoxybenzoic acid
SMILESCOc1ccc(C(C)N)cc1C(=O)O
InChIInChI=1S/C10H13NO3/c1-6(11)7-3-4-9(14-2)8(5-7)10(12)13/h3-6H,11H2,1-2H3,(H,12,13)
InChIKeyPKBHHTIZAKHHCI-UHFFFAOYSA-N
XLogP1.41
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-aminoethyl)-2-chlorobenzoic acid
CID 55271591
2-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]propanoic acid
CID 55189911
(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 7047696
5-[(1S)-1-aminoethyl]-2-methoxyphenol
CID 55253033
5-(4-amino-1,2-dihydroxy-4-oxobutyl)-2-methoxybenzoic acid
CID 171899771
methyl 2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]propanoate
CID 63366880
4-[(1S)-1-aminoethyl]-2-methylbenzoic acid;hydrochloride
CID 66868233
5-ethyl-2-methoxybenzoic acid
CID 20721149
2-bromo-1-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-one
CID 134619123
3-amino-4-(2-methoxy-5-propan-2-ylphenyl)-4-oxobutanoic acid
CID 82349179
5-(1,2-dihydroxy-4-sulfanylbutyl)-2-methoxybenzoic acid
CID 171874689
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-2-methoxybenzoic acid?
The IUPAC name of 5-(1-aminoethyl)-2-methoxybenzoic acid (CID 105448790) is 5-(1-aminoethyl)-2-methoxybenzoic acid.
What is the SMILES notation for 5-(1-aminoethyl)-2-methoxybenzoic acid?
The canonical SMILES for 5-(1-aminoethyl)-2-methoxybenzoic acid is COc1ccc(C(C)N)cc1C(=O)O.
What is the InChIKey of 5-(1-aminoethyl)-2-methoxybenzoic acid?
The InChIKey is PKBHHTIZAKHHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-6(11)7-3-4-9(14-2)8(5-7)10(12)13/h3-6H,11H2,1-2H3,(H,12,13).
What are the key properties of 5-(1-aminoethyl)-2-methoxybenzoic acid?
5-(1-aminoethyl)-2-methoxybenzoic acid has a molecular weight of 195.22 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-2-methoxybenzoic acid is sourced from PubChem (CID 105448790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).