methyl (1S)-1-amino-2,3-dihydro-1H-indene-4-carboxylate

C11H13NO2 — CID 59505387

IUPACmethyl (1S)-1-amino-2,3-dihydro-1H-indene-4-carboxylate
SMILESCOC(=O)c1cccc2c1CC[C@@H]2N
InChIInChI=1S/C11H13NO2/c1-14-11(13)9-4-2-3-8-7(9)5-6-10(8)12/h2-4,10H,5-6,12H2,1H3/t10-/m0/s1
InChIKeyKLNIPXIUYFAARZ-JTQLQIEISA-N
MW191.23 g/mol
LogP1.42
Rot. Bonds1

About methyl (1S)-1-amino-2,3-dihydro-1H-indene-4-carboxylate

methyl (1S)-1-amino-2,3-dihydro-1H-indene-4-carboxylate (PubChem CID 59505387) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is methyl (1S)-1-amino-2,3-dihydro-1H-indene-4-carboxylate.

Molecular Properties

Compound Namemethyl (1S)-1-amino-2,3-dihydro-1H-indene-4-carboxylate
PubChem CID59505387
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Namemethyl (1S)-1-amino-2,3-dihydro-1H-indene-4-carboxylate
SMILESCOC(=O)c1cccc2c1CC[C@@H]2N
InChIInChI=1S/C11H13NO2/c1-14-11(13)9-4-2-3-8-7(9)5-6-10(8)12/h2-4,10H,5-6,12H2,1H3/t10-/m0/s1
InChIKeyKLNIPXIUYFAARZ-JTQLQIEISA-N
XLogP1.42
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (1S)-1-amino-2,3-dihydro-1H-indene-4-carboxylate 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

methyl 5-amino-5,6,7,8-tetrahydronaphthalene-1-carboxylate;hydrochloride
CID 154878753
methyl (1R)-1-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carboxylate
CID 124673429
(1R)-1-amino-2,3-dihydro-1H-indene-4-carboxamide
CID 130682508
methyl (4R)-4-amino-3,4-dihydro-1H-isochromene-8-carboxylate
CID 131534145
5-O-methyl 4-O-propan-2-yl 1-amino-2,3-dihydro-1H-indene-4,5-dicarboxylate
CID 150000037
(1-amino-2,3-dihydro-1H-inden-4-yl)-(4-methylphenyl)methanone
CID 67613124
5-amino-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 130044186
methyl 4-benzyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-7-carboxylate
CID 57041512
(1R)-4-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 134159261
2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-N-cyclopropylpropanamide
CID 63090463
methyl 5-oxo-6-prop-2-enyl-7,8-dihydro-6H-naphthalene-1-carboxylate
CID 18794675
methyl 2-(4-oxocyclohexyl)benzoate
CID 170755428

Frequently Asked Questions

What is the IUPAC name of methyl (1S)-1-amino-2,3-dihydro-1H-indene-4-carboxylate?
The IUPAC name of methyl (1S)-1-amino-2,3-dihydro-1H-indene-4-carboxylate (CID 59505387) is methyl (1S)-1-amino-2,3-dihydro-1H-indene-4-carboxylate.
What is the SMILES notation for methyl (1S)-1-amino-2,3-dihydro-1H-indene-4-carboxylate?
The canonical SMILES for methyl (1S)-1-amino-2,3-dihydro-1H-indene-4-carboxylate is COC(=O)c1cccc2c1CC[C@@H]2N.
What is the InChIKey of methyl (1S)-1-amino-2,3-dihydro-1H-indene-4-carboxylate?
The InChIKey is KLNIPXIUYFAARZ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13NO2/c1-14-11(13)9-4-2-3-8-7(9)5-6-10(8)12/h2-4,10H,5-6,12H2,1H3/t10-/m0/s1.
What are the key properties of methyl (1S)-1-amino-2,3-dihydro-1H-indene-4-carboxylate?
methyl (1S)-1-amino-2,3-dihydro-1H-indene-4-carboxylate has a molecular weight of 191.23 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S)-1-amino-2,3-dihydro-1H-indene-4-carboxylate is sourced from PubChem (CID 59505387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).