3-amino-2-methoxybenzoic acid;hydrochloride

C8H10ClNO3 — CID 163206997

IUPAC3-amino-2-methoxybenzoic acid;hydrochloride
SMILESCOc1c(N)cccc1C(=O)O.Cl
InChIInChI=1S/C8H9NO3.ClH/c1-12-7-5(8(10)11)3-2-4-6(7)9;/h2-4H,9H2,1H3,(H,10,11);1H
InChIKeyCXSZFBDSJDTECW-UHFFFAOYSA-N
MW203.62 g/mol
LogP1.40
Rot. Bonds2

About 3-amino-2-methoxybenzoic acid;hydrochloride

3-amino-2-methoxybenzoic acid;hydrochloride (PubChem CID 163206997) has the molecular formula C8H10ClNO3 and a molecular weight of 203.62 g/mol. Its IUPAC name is 3-amino-2-methoxybenzoic acid;hydrochloride.

Molecular Properties

Compound Name3-amino-2-methoxybenzoic acid;hydrochloride
PubChem CID163206997
Molecular FormulaC8H10ClNO3
Molecular Weight203.62 g/mol
Exact Mass203.03
IUPAC Name3-amino-2-methoxybenzoic acid;hydrochloride
SMILESCOc1c(N)cccc1C(=O)O.Cl
InChIInChI=1S/C8H9NO3.ClH/c1-12-7-5(8(10)11)3-2-4-6(7)9;/h2-4H,9H2,1H3,(H,10,11);1H
InChIKeyCXSZFBDSJDTECW-UHFFFAOYSA-N
XLogP1.40
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.62
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-methoxybenzoic acid
CID 19849158
3-amino-2-aminooxybenzoic acid
CID 54335840
benzyl 3-amino-2-methoxybenzoate;hydrochloride
CID 67245943
3-(aminomethyl)-2-methoxybenzoic acid;hydrochloride
CID 140688179
CID 175079027
CID 175079027
carbonic acid;2-methoxy-3-methylbenzoic acid
CID 69114521
3-amino-2-(1-carboxyethoxy)benzoic acid
CID 107077529
(3-amino-2-methoxyphenyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107211013
CID 87085306
CID 87085306
3-amino-2-(2-hydroxy-2-methylpropanoyl)oxybenzoic acid
CID 117095958
2-amino-3-methoxyterephthalic acid
CID 132516468
2,3-dimethoxybenzoic acid;platinum;hydrate
CID 174478854

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxybenzoic acid;hydrochloride?
The IUPAC name of 3-amino-2-methoxybenzoic acid;hydrochloride (CID 163206997) is 3-amino-2-methoxybenzoic acid;hydrochloride.
What is the SMILES notation for 3-amino-2-methoxybenzoic acid;hydrochloride?
The canonical SMILES for 3-amino-2-methoxybenzoic acid;hydrochloride is COc1c(N)cccc1C(=O)O.Cl.
What is the InChIKey of 3-amino-2-methoxybenzoic acid;hydrochloride?
The InChIKey is CXSZFBDSJDTECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3.ClH/c1-12-7-5(8(10)11)3-2-4-6(7)9;/h2-4H,9H2,1H3,(H,10,11);1H.
What are the key properties of 3-amino-2-methoxybenzoic acid;hydrochloride?
3-amino-2-methoxybenzoic acid;hydrochloride has a molecular weight of 203.62 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxybenzoic acid;hydrochloride is sourced from PubChem (CID 163206997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).