methyl 6-(propan-2-yloxycarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate

C15H19NO4 — CID 59003158

IUPACmethyl 6-(propan-2-yloxycarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1cc2c(cc1NC(=O)OC(C)C)CCC2
InChIInChI=1S/C15H19NO4/c1-9(2)20-15(18)16-13-8-11-6-4-5-10(11)7-12(13)14(17)19-3/h7-9H,4-6H2,1-3H3,(H,16,18)
InChIKeyIUFHKESVGVYQPR-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.92
Rot. Bonds3

About methyl 6-(propan-2-yloxycarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate

methyl 6-(propan-2-yloxycarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate (PubChem CID 59003158) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 6-(propan-2-yloxycarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-(propan-2-yloxycarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate
PubChem CID59003158
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namemethyl 6-(propan-2-yloxycarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1cc2c(cc1NC(=O)OC(C)C)CCC2
InChIInChI=1S/C15H19NO4/c1-9(2)20-15(18)16-13-8-11-6-4-5-10(11)7-12(13)14(17)19-3/h7-9H,4-6H2,1-3H3,(H,16,18)
InChIKeyIUFHKESVGVYQPR-UHFFFAOYSA-N
XLogP2.92
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-bromo-4-chloro-2-(propan-2-yloxycarbonylamino)benzoate
CID 68679468
methyl 6-bromo-2,3-dihydro-1H-indene-5-carboxylate
CID 125427256
propan-2-yl 2,3-dihydro-1H-indene-5-carboxylate
CID 60704491
3-O-ethyl 2-O-methyl 5,6,7,8-tetrahydronaphthalene-2,3-dicarboxylate
CID 10611493
methyl 6-phenyl-2,3-dihydro-1H-indene-5-carboxylate
CID 132566202
methyl 4,5-dimethoxy-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate
CID 18876261
dimethyl 2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzene-1,4-dicarboxylate
CID 100593851
methyl 7-amino-6-hydroxy-2,3-dihydro-1H-indene-5-carboxylate
CID 84674999
propan-2-yl N-(4-methoxy-2-methylphenyl)carbamate
CID 116655687
propan-2-yl N-(2-methoxyphenyl)carbamate
CID 5047637
methyl 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)benzoate
CID 4793271
6-(1-methoxyethenyl)-N-methyl-2,3-dihydro-1H-inden-5-amine;propan-2-yl formate
CID 143036214

Frequently Asked Questions

What is the IUPAC name of methyl 6-(propan-2-yloxycarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate?
The IUPAC name of methyl 6-(propan-2-yloxycarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate (CID 59003158) is methyl 6-(propan-2-yloxycarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate.
What is the SMILES notation for methyl 6-(propan-2-yloxycarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate?
The canonical SMILES for methyl 6-(propan-2-yloxycarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate is COC(=O)c1cc2c(cc1NC(=O)OC(C)C)CCC2.
What is the InChIKey of methyl 6-(propan-2-yloxycarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate?
The InChIKey is IUFHKESVGVYQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-9(2)20-15(18)16-13-8-11-6-4-5-10(11)7-12(13)14(17)19-3/h7-9H,4-6H2,1-3H3,(H,16,18).
What are the key properties of methyl 6-(propan-2-yloxycarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate?
methyl 6-(propan-2-yloxycarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(propan-2-yloxycarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate is sourced from PubChem (CID 59003158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).