2-(2-amino-1,3-dihydroinden-2-yl)acetic acid;hydrochloride

C11H14ClNO2 — CID 57444001

IUPAC2-(2-amino-1,3-dihydroinden-2-yl)acetic acid;hydrochloride
SMILESCl.NC1(CC(=O)O)Cc2ccccc2C1
InChIInChI=1S/C11H13NO2.ClH/c12-11(7-10(13)14)5-8-3-1-2-4-9(8)6-11;/h1-4H,5-7,12H2,(H,13,14);1H
InChIKeyUJNUQBFLQASHJS-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.38
Rot. Bonds2

About 2-(2-amino-1,3-dihydroinden-2-yl)acetic acid;hydrochloride

2-(2-amino-1,3-dihydroinden-2-yl)acetic acid;hydrochloride (PubChem CID 57444001) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-(2-amino-1,3-dihydroinden-2-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(2-amino-1,3-dihydroinden-2-yl)acetic acid;hydrochloride
PubChem CID57444001
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name2-(2-amino-1,3-dihydroinden-2-yl)acetic acid;hydrochloride
SMILESCl.NC1(CC(=O)O)Cc2ccccc2C1
InChIInChI=1S/C11H13NO2.ClH/c12-11(7-10(13)14)5-8-3-1-2-4-9(8)6-11;/h1-4H,5-7,12H2,(H,13,14);1H
InChIKeyUJNUQBFLQASHJS-UHFFFAOYSA-N
XLogP1.38
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-dihydroinden-2-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(2-amino-1,3-dihydroinden-2-yl)acetic acid;hydrochloride (CID 57444001) is 2-(2-amino-1,3-dihydroinden-2-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(2-amino-1,3-dihydroinden-2-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(2-amino-1,3-dihydroinden-2-yl)acetic acid;hydrochloride is Cl.NC1(CC(=O)O)Cc2ccccc2C1.
What is the InChIKey of 2-(2-amino-1,3-dihydroinden-2-yl)acetic acid;hydrochloride?
The InChIKey is UJNUQBFLQASHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2.ClH/c12-11(7-10(13)14)5-8-3-1-2-4-9(8)6-11;/h1-4H,5-7,12H2,(H,13,14);1H.
What are the key properties of 2-(2-amino-1,3-dihydroinden-2-yl)acetic acid;hydrochloride?
2-(2-amino-1,3-dihydroinden-2-yl)acetic acid;hydrochloride has a molecular weight of 227.69 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-dihydroinden-2-yl)acetic acid;hydrochloride is sourced from PubChem (CID 57444001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).