methyl (3R)-3-(propan-2-ylamino)-2,3-dihydro-1H-indene-5-carboxylate

C14H19NO2 — CID 66805276

IUPACmethyl (3R)-3-(propan-2-ylamino)-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)[C@H](NC(C)C)CC2
InChIInChI=1S/C14H19NO2/c1-9(2)15-13-7-6-10-4-5-11(8-12(10)13)14(16)17-3/h4-5,8-9,13,15H,6-7H2,1-3H3/t13-/m1/s1
InChIKeyVQLOCRAMLGNBKW-CYBMUJFWSA-N
MW233.31 g/mol
LogP2.46
Rot. Bonds3

About methyl (3R)-3-(propan-2-ylamino)-2,3-dihydro-1H-indene-5-carboxylate

methyl (3R)-3-(propan-2-ylamino)-2,3-dihydro-1H-indene-5-carboxylate (PubChem CID 66805276) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl (3R)-3-(propan-2-ylamino)-2,3-dihydro-1H-indene-5-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-3-(propan-2-ylamino)-2,3-dihydro-1H-indene-5-carboxylate
PubChem CID66805276
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namemethyl (3R)-3-(propan-2-ylamino)-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)[C@H](NC(C)C)CC2
InChIInChI=1S/C14H19NO2/c1-9(2)15-13-7-6-10-4-5-11(8-12(10)13)14(16)17-3/h4-5,8-9,13,15H,6-7H2,1-3H3/t13-/m1/s1
InChIKeyVQLOCRAMLGNBKW-CYBMUJFWSA-N
XLogP2.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-(propan-2-ylamino)-2,3-dihydro-1H-indene-5-carboxylate?
The IUPAC name of methyl (3R)-3-(propan-2-ylamino)-2,3-dihydro-1H-indene-5-carboxylate (CID 66805276) is methyl (3R)-3-(propan-2-ylamino)-2,3-dihydro-1H-indene-5-carboxylate.
What is the SMILES notation for methyl (3R)-3-(propan-2-ylamino)-2,3-dihydro-1H-indene-5-carboxylate?
The canonical SMILES for methyl (3R)-3-(propan-2-ylamino)-2,3-dihydro-1H-indene-5-carboxylate is COC(=O)c1ccc2c(c1)[C@H](NC(C)C)CC2.
What is the InChIKey of methyl (3R)-3-(propan-2-ylamino)-2,3-dihydro-1H-indene-5-carboxylate?
The InChIKey is VQLOCRAMLGNBKW-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9(2)15-13-7-6-10-4-5-11(8-12(10)13)14(16)17-3/h4-5,8-9,13,15H,6-7H2,1-3H3/t13-/m1/s1.
What are the key properties of methyl (3R)-3-(propan-2-ylamino)-2,3-dihydro-1H-indene-5-carboxylate?
methyl (3R)-3-(propan-2-ylamino)-2,3-dihydro-1H-indene-5-carboxylate has a molecular weight of 233.31 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-(propan-2-ylamino)-2,3-dihydro-1H-indene-5-carboxylate is sourced from PubChem (CID 66805276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).