tert-butyl 3-amino-2,3-dihydro-1H-indene-1-carboxylate

C14H19NO2 — CID 122163688

IUPACtert-butyl 3-amino-2,3-dihydro-1H-indene-1-carboxylate
SMILESCC(C)(C)OC(=O)C1CC(N)c2ccccc21
InChIInChI=1S/C14H19NO2/c1-14(2,3)17-13(16)11-8-12(15)10-7-5-4-6-9(10)11/h4-7,11-12H,8,15H2,1-3H3
InChIKeyJNARGVBQPSLVNS-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.52
Rot. Bonds1

About tert-butyl 3-amino-2,3-dihydro-1H-indene-1-carboxylate

tert-butyl 3-amino-2,3-dihydro-1H-indene-1-carboxylate (PubChem CID 122163688) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is tert-butyl 3-amino-2,3-dihydro-1H-indene-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-amino-2,3-dihydro-1H-indene-1-carboxylate
PubChem CID122163688
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Nametert-butyl 3-amino-2,3-dihydro-1H-indene-1-carboxylate
SMILESCC(C)(C)OC(=O)C1CC(N)c2ccccc21
InChIInChI=1S/C14H19NO2/c1-14(2,3)17-13(16)11-8-12(15)10-7-5-4-6-9(10)11/h4-7,11-12H,8,15H2,1-3H3
InChIKeyJNARGVBQPSLVNS-UHFFFAOYSA-N
XLogP2.52
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

rac-(1R,3S)-3-amino-2,3-dihydro-1H-indene-1-carboxylic acid hydrochloride
CID 132342251
2-(3-amino-2,3-dihydro-1H-inden-1-yl)acetic acid
CID 21820527
(1S,3R)-3-Amino-2,3-dihydro-1H-indene-1-carboxylic acid
CID 1502027
3-amino-5-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid
CID 82158196
3-amino-7-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid
CID 82158197
methyl 3-amino-4-fluoro-2,3-dihydro-1H-indene-1-carboxylate
CID 123233906
3-amino-6-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid
CID 123294944
methyl 3-amino-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylate
CID 123342266
methyl 5-fluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate
CID 123350598
methyl 4,6-difluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate
CID 123356982
methyl 3-amino-5-fluoro-2,3-dihydro-1H-indene-1-carboxylate
CID 123388948
3-amino-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylic acid
CID 123602026

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-2,3-dihydro-1H-indene-1-carboxylate?
The IUPAC name of tert-butyl 3-amino-2,3-dihydro-1H-indene-1-carboxylate (CID 122163688) is tert-butyl 3-amino-2,3-dihydro-1H-indene-1-carboxylate.
What is the SMILES notation for tert-butyl 3-amino-2,3-dihydro-1H-indene-1-carboxylate?
The canonical SMILES for tert-butyl 3-amino-2,3-dihydro-1H-indene-1-carboxylate is CC(C)(C)OC(=O)C1CC(N)c2ccccc21.
What is the InChIKey of tert-butyl 3-amino-2,3-dihydro-1H-indene-1-carboxylate?
The InChIKey is JNARGVBQPSLVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(2,3)17-13(16)11-8-12(15)10-7-5-4-6-9(10)11/h4-7,11-12H,8,15H2,1-3H3.
What are the key properties of tert-butyl 3-amino-2,3-dihydro-1H-indene-1-carboxylate?
tert-butyl 3-amino-2,3-dihydro-1H-indene-1-carboxylate has a molecular weight of 233.31 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-amino-2,3-dihydro-1H-indene-1-carboxylate is sourced from PubChem (CID 122163688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).