2-(6-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpropanoic acid

C13H17NO2 — CID 105474225

IUPAC2-(6-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1CCc2ccc(N)cc21
InChIInChI=1S/C13H17NO2/c1-13(2,12(15)16)11-6-4-8-3-5-9(14)7-10(8)11/h3,5,7,11H,4,6,14H2,1-2H3,(H,15,16)
InChIKeyFDXZRDVNVUGJMY-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.41
Rot. Bonds2

About 2-(6-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpropanoic acid

2-(6-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpropanoic acid (PubChem CID 105474225) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-(6-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(6-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpropanoic acid
PubChem CID105474225
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-(6-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1CCc2ccc(N)cc21
InChIInChI=1S/C13H17NO2/c1-13(2,12(15)16)11-6-4-8-3-5-9(14)7-10(8)11/h3,5,7,11H,4,6,14H2,1-2H3,(H,15,16)
InChIKeyFDXZRDVNVUGJMY-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
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

N-(6-amino-2,3-dihydro-1H-inden-1-yl)acetamide
CID 18627846
(1R)-7-amino-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 130609338
(1S)-7-amino-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 130632963
methyl 2-[(1S)-6-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylpropaneperoxoate
CID 59590901
(2S)-7-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 130648417
[(1S,2S)-6-amino-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-tert-butylcarbamic acid
CID 67281529
tert-butyl N-[(1R)-7-amino-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate;tert-butyl N-[(1S)-7-amino-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate;tert-butyl N-(7-amino-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate
CID 158735522
tert-butyl N-[3-[(1S)-6-amino-2,3-dihydro-1H-inden-1-yl]prop-2-ynyl]carbamate
CID 129395434
7-amino-1,2,3,4-tetrahydronaphthalen-1-ol
CID 15840809
(8R)-8-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 57293578
2-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropanal
CID 105458981
1-N-tert-butyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine
CID 105473328

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(6-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpropanoic acid (CID 105474225) is 2-(6-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(6-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(6-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpropanoic acid is CC(C)(C(=O)O)C1CCc2ccc(N)cc21.
What is the InChIKey of 2-(6-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpropanoic acid?
The InChIKey is FDXZRDVNVUGJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-13(2,12(15)16)11-6-4-8-3-5-9(14)7-10(8)11/h3,5,7,11H,4,6,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(6-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpropanoic acid?
2-(6-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpropanoic acid has a molecular weight of 219.28 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpropanoic acid is sourced from PubChem (CID 105474225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).