6-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid;hydrochloride

C11H14ClNO2 — CID 67868081

IUPAC6-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid;hydrochloride
SMILESCl.Nc1ccc2c(c1)CCCC2C(=O)O
InChIInChI=1S/C11H13NO2.ClH/c12-8-4-5-9-7(6-8)2-1-3-10(9)11(13)14;/h4-6,10H,1-3,12H2,(H,13,14);1H
InChIKeyQFCZKXTVCFUSTO-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.20
Rot. Bonds1

About 6-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid;hydrochloride

6-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid;hydrochloride (PubChem CID 67868081) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 6-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid;hydrochloride
PubChem CID67868081
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name6-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid;hydrochloride
SMILESCl.Nc1ccc2c(c1)CCCC2C(=O)O
InChIInChI=1S/C11H13NO2.ClH/c12-8-4-5-9-7(6-8)2-1-3-10(9)11(13)14;/h4-6,10H,1-3,12H2,(H,13,14);1H
InChIKeyQFCZKXTVCFUSTO-UHFFFAOYSA-N
XLogP2.20
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Aminophenylacetic acid
CID 14533
3-(4-Aminophenyl)propionic acid
CID 75451
4-Aminohydratropic acid
CID 43026
2-(4-Aminophenyl)butanoic acid
CID 34655
4-(4-Aminophenyl)butanoic acid
CID 27049
6-Aminonaphthalene-2-carboxylic acid
CID 2733954
3-(3-Aminophenyl)propionic acid
CID 2735406
3-Biphenylacetic acid, 5-amino-
CID 53372
2-(4-Aminophenyl)-2-phenylacetic acid
CID 346835
2-(3-Aminophenyl)acetic acid hydrochloride
CID 45263726
3-aminonaphthalene-1-carboxylic Acid
CID 272138
(3-Aminophenyl)acetic acid
CID 571807

Frequently Asked Questions

What is the IUPAC name of 6-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid;hydrochloride?
The IUPAC name of 6-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid;hydrochloride (CID 67868081) is 6-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 6-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid;hydrochloride?
The canonical SMILES for 6-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid;hydrochloride is Cl.Nc1ccc2c(c1)CCCC2C(=O)O.
What is the InChIKey of 6-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid;hydrochloride?
The InChIKey is QFCZKXTVCFUSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2.ClH/c12-8-4-5-9-7(6-8)2-1-3-10(9)11(13)14;/h4-6,10H,1-3,12H2,(H,13,14);1H.
What are the key properties of 6-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid;hydrochloride?
6-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid;hydrochloride has a molecular weight of 227.69 g/mol, XLogP of 2.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 67868081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).