methyl 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxylate

C15H20N2O2 — CID 79651759

IUPACmethyl 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(N)CCC(N2Cc3ccccc3C2)C1
InChIInChI=1S/C15H20N2O2/c1-19-14(18)15(16)7-6-13(8-15)17-9-11-4-2-3-5-12(11)10-17/h2-5,13H,6-10,16H2,1H3
InChIKeyQTHAZMUJYDGRLD-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.43
Rot. Bonds2

About methyl 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxylate

methyl 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxylate (PubChem CID 79651759) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is methyl 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxylate
PubChem CID79651759
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Namemethyl 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(N)CCC(N2Cc3ccccc3C2)C1
InChIInChI=1S/C15H20N2O2/c1-19-14(18)15(16)7-6-13(8-15)17-9-11-4-2-3-5-12(11)10-17/h2-5,13H,6-10,16H2,1H3
InChIKeyQTHAZMUJYDGRLD-UHFFFAOYSA-N
XLogP1.43
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxylate (CID 79651759) is methyl 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxylate is COC(=O)C1(N)CCC(N2Cc3ccccc3C2)C1.
What is the InChIKey of methyl 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxylate?
The InChIKey is QTHAZMUJYDGRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-19-14(18)15(16)7-6-13(8-15)17-9-11-4-2-3-5-12(11)10-17/h2-5,13H,6-10,16H2,1H3.
What are the key properties of methyl 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxylate?
methyl 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxylate has a molecular weight of 260.34 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxylate is sourced from PubChem (CID 79651759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).