methyl 2-(4-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpropanoate

C14H19NO2 — CID 105493116

IUPACmethyl 2-(4-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)C1CCc2c(N)cccc21
InChIInChI=1S/C14H19NO2/c1-14(2,13(16)17-3)11-8-7-10-9(11)5-4-6-12(10)15/h4-6,11H,7-8,15H2,1-3H3
InChIKeyOHYFRMOVNVOWRL-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.50
Rot. Bonds2

About methyl 2-(4-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpropanoate

methyl 2-(4-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpropanoate (PubChem CID 105493116) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl 2-(4-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(4-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpropanoate
PubChem CID105493116
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namemethyl 2-(4-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)C1CCc2c(N)cccc21
InChIInChI=1S/C14H19NO2/c1-14(2,13(16)17-3)11-8-7-10-9(11)5-4-6-12(10)15/h4-6,11H,7-8,15H2,1-3H3
InChIKeyOHYFRMOVNVOWRL-UHFFFAOYSA-N
XLogP2.50
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze methyl 2-(4-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-4-amino-2,3-dihydro-1H-indene-1-carboxylic acid
CID 86332255
tert-butyl N-(4-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)carbamate
CID 130120349
bis(4-amino-2,3-dihydro-1H-inden-1-yl) (E)-but-2-enedioate
CID 174430284
1-(4-amino-2,3-dihydro-1H-inden-1-yl)-3-propan-2-ylurea
CID 165476164
2,3-dihydro-1H-indene-1,4-diamine
CID 55293440
5-amino-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
CID 174491506
N-(4-amino-2,3-dihydro-1H-inden-1-yl)methanesulfonamide
CID 165486716
1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,4-diamine
CID 105436662
N-(4-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpentanamide
CID 165486516
tert-butyl (3R)-3-[1-(4-amino-2,3-dihydro-1H-inden-1-yl)-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-1-carboxylate
CID 178012698
methyl 2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-2-methylpropanoate
CID 132595611
methyl 3-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2,2-dimethylpropanoate
CID 79629209

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpropanoate?
The IUPAC name of methyl 2-(4-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpropanoate (CID 105493116) is methyl 2-(4-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(4-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpropanoate?
The canonical SMILES for methyl 2-(4-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpropanoate is COC(=O)C(C)(C)C1CCc2c(N)cccc21.
What is the InChIKey of methyl 2-(4-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpropanoate?
The InChIKey is OHYFRMOVNVOWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(2,13(16)17-3)11-8-7-10-9(11)5-4-6-12(10)15/h4-6,11H,7-8,15H2,1-3H3.
What are the key properties of methyl 2-(4-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpropanoate?
methyl 2-(4-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpropanoate has a molecular weight of 233.31 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpropanoate is sourced from PubChem (CID 105493116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).