2-(4-amino-2,3-dihydro-1H-inden-2-yl)-2-methylpropanoic acid

C13H17NO2 — CID 105474227

IUPAC2-(4-amino-2,3-dihydro-1H-inden-2-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1Cc2cccc(N)c2C1
InChIInChI=1S/C13H17NO2/c1-13(2,12(15)16)9-6-8-4-3-5-11(14)10(8)7-9/h3-5,9H,6-7,14H2,1-2H3,(H,15,16)
InChIKeyRIHCXPIOGDEDIY-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.09
Rot. Bonds2

About 2-(4-amino-2,3-dihydro-1H-inden-2-yl)-2-methylpropanoic acid

2-(4-amino-2,3-dihydro-1H-inden-2-yl)-2-methylpropanoic acid (PubChem CID 105474227) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-(4-amino-2,3-dihydro-1H-inden-2-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(4-amino-2,3-dihydro-1H-inden-2-yl)-2-methylpropanoic acid
PubChem CID105474227
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-(4-amino-2,3-dihydro-1H-inden-2-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1Cc2cccc(N)c2C1
InChIInChI=1S/C13H17NO2/c1-13(2,12(15)16)9-6-8-4-3-5-11(14)10(8)7-9/h3-5,9H,6-7,14H2,1-2H3,(H,15,16)
InChIKeyRIHCXPIOGDEDIY-UHFFFAOYSA-N
XLogP2.09
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.09
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

2-methyl-2-(4-methyl-2,3-dihydro-1H-inden-2-yl)propanoic acid
CID 105472702
2-(4-fluoro-2,3-dihydro-1H-inden-2-yl)-2-methylpropanoic acid
CID 105479063
4-amino-2,3-dihydro-1H-indene-2-carboxylic acid
CID 18330772
4-amino-2,3-dihydro-1H-indene-2-carboxylate
CID 91665602
ethyl 4-amino-2,3-dihydro-1H-indene-2-carboxylate
CID 131277883
5-amino-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 105444904
methyl 2-(4-amino-2,3-dihydro-1H-inden-2-yl)acetate
CID 105457459
2-methoxy-2,3-dihydro-1H-inden-4-amine
CID 105432211
(2R,3R)-5-amino-3-methoxy-1,2,3,4-tetrahydronaphthalen-2-ol
CID 58734131
2-(ethylaminomethyl)-2,3-dihydro-1H-inden-4-amine
CID 105444566
tert-butyl N-(4-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)carbamate
CID 130120349
methyl 2-(4-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpropanoate
CID 105493116

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,3-dihydro-1H-inden-2-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(4-amino-2,3-dihydro-1H-inden-2-yl)-2-methylpropanoic acid (CID 105474227) is 2-(4-amino-2,3-dihydro-1H-inden-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(4-amino-2,3-dihydro-1H-inden-2-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(4-amino-2,3-dihydro-1H-inden-2-yl)-2-methylpropanoic acid is CC(C)(C(=O)O)C1Cc2cccc(N)c2C1.
What is the InChIKey of 2-(4-amino-2,3-dihydro-1H-inden-2-yl)-2-methylpropanoic acid?
The InChIKey is RIHCXPIOGDEDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-13(2,12(15)16)9-6-8-4-3-5-11(14)10(8)7-9/h3-5,9H,6-7,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(4-amino-2,3-dihydro-1H-inden-2-yl)-2-methylpropanoic acid?
2-(4-amino-2,3-dihydro-1H-inden-2-yl)-2-methylpropanoic acid has a molecular weight of 219.28 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,3-dihydro-1H-inden-2-yl)-2-methylpropanoic acid is sourced from PubChem (CID 105474227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).