(3R)-3-amino-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride

C10H12ClNO2 — CID 155904885

IUPAC(3R)-3-amino-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride
SMILESCl.N[C@@H]1CCc2ccc(C(=O)O)cc21
InChIInChI=1S/C10H11NO2.ClH/c11-9-4-3-6-1-2-7(10(12)13)5-8(6)9;/h1-2,5,9H,3-4,11H2,(H,12,13);1H/t9-;/m1./s1
InChIKeyXIBHQJRIPHWZEW-SBSPUUFOSA-N
MW213.66 g/mol
LogP1.75
Rot. Bonds1

About (3R)-3-amino-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride

(3R)-3-amino-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride (PubChem CID 155904885) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is (3R)-3-amino-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(3R)-3-amino-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride
PubChem CID155904885
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name(3R)-3-amino-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride
SMILESCl.N[C@@H]1CCc2ccc(C(=O)O)cc21
InChIInChI=1S/C10H11NO2.ClH/c11-9-4-3-6-1-2-7(10(12)13)5-8(6)9;/h1-2,5,9H,3-4,11H2,(H,12,13);1H/t9-;/m1./s1
InChIKeyXIBHQJRIPHWZEW-SBSPUUFOSA-N
XLogP1.75
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride?
The IUPAC name of (3R)-3-amino-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride (CID 155904885) is (3R)-3-amino-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride.
What is the SMILES notation for (3R)-3-amino-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride?
The canonical SMILES for (3R)-3-amino-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride is Cl.N[C@@H]1CCc2ccc(C(=O)O)cc21.
What is the InChIKey of (3R)-3-amino-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride?
The InChIKey is XIBHQJRIPHWZEW-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H11NO2.ClH/c11-9-4-3-6-1-2-7(10(12)13)5-8(6)9;/h1-2,5,9H,3-4,11H2,(H,12,13);1H/t9-;/m1./s1.
What are the key properties of (3R)-3-amino-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride?
(3R)-3-amino-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride has a molecular weight of 213.66 g/mol, XLogP of 1.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 155904885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).