methyl 2-amino-5-ethoxy-2,3-dihydro-1H-indene-4-carboxylate

C13H17NO3 — CID 171725932

IUPACmethyl 2-amino-5-ethoxy-2,3-dihydro-1H-indene-4-carboxylate
SMILESCCOc1ccc2c(c1C(=O)OC)CC(N)C2
InChIInChI=1S/C13H17NO3/c1-3-17-11-5-4-8-6-9(14)7-10(8)12(11)13(15)16-2/h4-5,9H,3,6-7,14H2,1-2H3
InChIKeyYHSSCKFUSXUNRA-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.30
Rot. Bonds3

About methyl 2-amino-5-ethoxy-2,3-dihydro-1H-indene-4-carboxylate

methyl 2-amino-5-ethoxy-2,3-dihydro-1H-indene-4-carboxylate (PubChem CID 171725932) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is methyl 2-amino-5-ethoxy-2,3-dihydro-1H-indene-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-ethoxy-2,3-dihydro-1H-indene-4-carboxylate
PubChem CID171725932
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namemethyl 2-amino-5-ethoxy-2,3-dihydro-1H-indene-4-carboxylate
SMILESCCOc1ccc2c(c1C(=O)OC)CC(N)C2
InChIInChI=1S/C13H17NO3/c1-3-17-11-5-4-8-6-9(14)7-10(8)12(11)13(15)16-2/h4-5,9H,3,6-7,14H2,1-2H3
InChIKeyYHSSCKFUSXUNRA-UHFFFAOYSA-N
XLogP1.30
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-ethoxy-2,3-dihydro-1H-indene-4-carboxylate?
The IUPAC name of methyl 2-amino-5-ethoxy-2,3-dihydro-1H-indene-4-carboxylate (CID 171725932) is methyl 2-amino-5-ethoxy-2,3-dihydro-1H-indene-4-carboxylate.
What is the SMILES notation for methyl 2-amino-5-ethoxy-2,3-dihydro-1H-indene-4-carboxylate?
The canonical SMILES for methyl 2-amino-5-ethoxy-2,3-dihydro-1H-indene-4-carboxylate is CCOc1ccc2c(c1C(=O)OC)CC(N)C2.
What is the InChIKey of methyl 2-amino-5-ethoxy-2,3-dihydro-1H-indene-4-carboxylate?
The InChIKey is YHSSCKFUSXUNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-3-17-11-5-4-8-6-9(14)7-10(8)12(11)13(15)16-2/h4-5,9H,3,6-7,14H2,1-2H3.
What are the key properties of methyl 2-amino-5-ethoxy-2,3-dihydro-1H-indene-4-carboxylate?
methyl 2-amino-5-ethoxy-2,3-dihydro-1H-indene-4-carboxylate has a molecular weight of 235.28 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-ethoxy-2,3-dihydro-1H-indene-4-carboxylate is sourced from PubChem (CID 171725932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).