5-amino-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

C11H13NO2 — CID 105444904

IUPAC5-amino-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
SMILESNc1cccc2c1CCC(C(=O)O)C2
InChIInChI=1S/C11H13NO2/c12-10-3-1-2-7-6-8(11(13)14)4-5-9(7)10/h1-3,8H,4-6,12H2,(H,13,14)
InChIKeyQGSWAGWBDCRRMH-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.46
Rot. Bonds1

About 5-amino-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

5-amino-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid (PubChem CID 105444904) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 5-amino-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
PubChem CID105444904
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name5-amino-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
SMILESNc1cccc2c1CCC(C(=O)O)C2
InChIInChI=1S/C11H13NO2/c12-10-3-1-2-7-6-8(11(13)14)4-5-9(7)10/h1-3,8H,4-6,12H2,(H,13,14)
InChIKeyQGSWAGWBDCRRMH-UHFFFAOYSA-N
XLogP1.46
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.46
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-amino-2,3-dihydro-1H-indene-2-carboxylic acid
CID 18330772
5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 12728224
5-sulfo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 22003034
1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride
CID 67808987
5,6,7,8-tetrahydronaphthalene-1,6-diamine
CID 14836578
4-amino-2,3-dihydro-1H-indene-2-carboxylate
CID 91665602
1,2,3,4,5,6,7,8-octahydrophenanthrene-2-carboxylic acid
CID 140510745
6-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 105436645
(1R)-4-amino-2,3-dihydro-1H-indene-1-carboxylic acid
CID 86332255
(2R)-2-amino-1-(5-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-one
CID 178126498
ethyl 4-amino-2,3-dihydro-1H-indene-2-carboxylate
CID 131277883
(2S)-5-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 131146204

Frequently Asked Questions

What is the IUPAC name of 5-amino-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The IUPAC name of 5-amino-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid (CID 105444904) is 5-amino-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 5-amino-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The canonical SMILES for 5-amino-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid is Nc1cccc2c1CCC(C(=O)O)C2.
What is the InChIKey of 5-amino-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The InChIKey is QGSWAGWBDCRRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c12-10-3-1-2-7-6-8(11(13)14)4-5-9(7)10/h1-3,8H,4-6,12H2,(H,13,14).
What are the key properties of 5-amino-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
5-amino-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid has a molecular weight of 191.23 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 105444904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).