3-(dimethylamino)-4-methoxybenzoic acid;hydrochloride

C10H14ClNO3 — CID 53429691

IUPAC3-(dimethylamino)-4-methoxybenzoic acid;hydrochloride
SMILESCOc1ccc(C(=O)O)cc1N(C)C.Cl
InChIInChI=1S/C10H13NO3.ClH/c1-11(2)8-6-7(10(12)13)4-5-9(8)14-3;/h4-6H,1-3H3,(H,12,13);1H
InChIKeyGHUOGLJGCQXQOJ-UHFFFAOYSA-N
MW231.68 g/mol
LogP1.88
Rot. Bonds3

About 3-(dimethylamino)-4-methoxybenzoic acid;hydrochloride

3-(dimethylamino)-4-methoxybenzoic acid;hydrochloride (PubChem CID 53429691) has the molecular formula C10H14ClNO3 and a molecular weight of 231.68 g/mol. Its IUPAC name is 3-(dimethylamino)-4-methoxybenzoic acid;hydrochloride.

Molecular Properties

Compound Name3-(dimethylamino)-4-methoxybenzoic acid;hydrochloride
PubChem CID53429691
Molecular FormulaC10H14ClNO3
Molecular Weight231.68 g/mol
Exact Mass231.07
IUPAC Name3-(dimethylamino)-4-methoxybenzoic acid;hydrochloride
SMILESCOc1ccc(C(=O)O)cc1N(C)C.Cl
InChIInChI=1S/C10H13NO3.ClH/c1-11(2)8-6-7(10(12)13)4-5-9(8)14-3;/h4-6H,1-3H3,(H,12,13);1H
InChIKeyGHUOGLJGCQXQOJ-UHFFFAOYSA-N
XLogP1.88
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(dimethylamino)methyl]-4-methoxybenzoic acid;hydrochloride
CID 46736545
3,4-dimethoxybenzoic acid;methanol
CID 144580050
4-methoxy-3-[methyl(pyridin-4-ylmethyl)amino]benzoic acid
CID 82123949
3-hydroxy-4-methoxybenzoic acid
CID 12575
3-borono-4-methoxybenzoic acid
CID 42614541
3-hydroxy-4-methoxybenzoic acid;molecular hydrogen
CID 50930804
3-[(2-amino-2-oxoethyl)-methylsulfonylamino]-4-methoxybenzoic acid
CID 86679498
4-(dimethylamino)-3-hydroxybenzoic acid
CID 21481551
4-(hydroxymethoxy)-3-methoxybenzoic acid
CID 142628335
4-[5-(4-carboxy-2-methoxyphenoxy)pentoxy]-3-methoxybenzoic acid
CID 15329160
4-[3-(4-carboxy-2-methoxyphenoxy)propoxy]-3-methoxybenzoic acid
CID 11132553
2-bromo-1-[3-(dimethylamino)-4-methoxyphenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 91265827

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-4-methoxybenzoic acid;hydrochloride?
The IUPAC name of 3-(dimethylamino)-4-methoxybenzoic acid;hydrochloride (CID 53429691) is 3-(dimethylamino)-4-methoxybenzoic acid;hydrochloride.
What is the SMILES notation for 3-(dimethylamino)-4-methoxybenzoic acid;hydrochloride?
The canonical SMILES for 3-(dimethylamino)-4-methoxybenzoic acid;hydrochloride is COc1ccc(C(=O)O)cc1N(C)C.Cl.
What is the InChIKey of 3-(dimethylamino)-4-methoxybenzoic acid;hydrochloride?
The InChIKey is GHUOGLJGCQXQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3.ClH/c1-11(2)8-6-7(10(12)13)4-5-9(8)14-3;/h4-6H,1-3H3,(H,12,13);1H.
What are the key properties of 3-(dimethylamino)-4-methoxybenzoic acid;hydrochloride?
3-(dimethylamino)-4-methoxybenzoic acid;hydrochloride has a molecular weight of 231.68 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-4-methoxybenzoic acid;hydrochloride is sourced from PubChem (CID 53429691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).