methyl (1S,2R,5R)-2-amino-5-(2,4,6-trimethylphenyl)cyclopentane-1-carboxylate

C16H23NO2 — CID 11346024

IUPACmethyl (1S,2R,5R)-2-amino-5-(2,4,6-trimethylphenyl)cyclopentane-1-carboxylate
SMILESCOC(=O)[C@@H]1[C@H](N)CC[C@H]1c1c(C)cc(C)cc1C
InChIInChI=1S/C16H23NO2/c1-9-7-10(2)14(11(3)8-9)12-5-6-13(17)15(12)16(18)19-4/h7-8,12-13,15H,5-6,17H2,1-4H3/t12-,13+,15-/m0/s1
InChIKeySEQZCGSWJWILFC-GUTXKFCHSA-N
MW261.37 g/mol
LogP2.61
Rot. Bonds2

About methyl (1S,2R,5R)-2-amino-5-(2,4,6-trimethylphenyl)cyclopentane-1-carboxylate

methyl (1S,2R,5R)-2-amino-5-(2,4,6-trimethylphenyl)cyclopentane-1-carboxylate (PubChem CID 11346024) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is methyl (1S,2R,5R)-2-amino-5-(2,4,6-trimethylphenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1S,2R,5R)-2-amino-5-(2,4,6-trimethylphenyl)cyclopentane-1-carboxylate
PubChem CID11346024
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Namemethyl (1S,2R,5R)-2-amino-5-(2,4,6-trimethylphenyl)cyclopentane-1-carboxylate
SMILESCOC(=O)[C@@H]1[C@H](N)CC[C@H]1c1c(C)cc(C)cc1C
InChIInChI=1S/C16H23NO2/c1-9-7-10(2)14(11(3)8-9)12-5-6-13(17)15(12)16(18)19-4/h7-8,12-13,15H,5-6,17H2,1-4H3/t12-,13+,15-/m0/s1
InChIKeySEQZCGSWJWILFC-GUTXKFCHSA-N
XLogP2.61
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (1S,2R,5R)-2-amino-5-(2,4,6-trimethylphenyl)cyclopentane-1-carboxylate?
The IUPAC name of methyl (1S,2R,5R)-2-amino-5-(2,4,6-trimethylphenyl)cyclopentane-1-carboxylate (CID 11346024) is methyl (1S,2R,5R)-2-amino-5-(2,4,6-trimethylphenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl (1S,2R,5R)-2-amino-5-(2,4,6-trimethylphenyl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl (1S,2R,5R)-2-amino-5-(2,4,6-trimethylphenyl)cyclopentane-1-carboxylate is COC(=O)[C@@H]1[C@H](N)CC[C@H]1c1c(C)cc(C)cc1C.
What is the InChIKey of methyl (1S,2R,5R)-2-amino-5-(2,4,6-trimethylphenyl)cyclopentane-1-carboxylate?
The InChIKey is SEQZCGSWJWILFC-GUTXKFCHSA-N. The full InChI is InChI=1S/C16H23NO2/c1-9-7-10(2)14(11(3)8-9)12-5-6-13(17)15(12)16(18)19-4/h7-8,12-13,15H,5-6,17H2,1-4H3/t12-,13+,15-/m0/s1.
What are the key properties of methyl (1S,2R,5R)-2-amino-5-(2,4,6-trimethylphenyl)cyclopentane-1-carboxylate?
methyl (1S,2R,5R)-2-amino-5-(2,4,6-trimethylphenyl)cyclopentane-1-carboxylate has a molecular weight of 261.37 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,2R,5R)-2-amino-5-(2,4,6-trimethylphenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 11346024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).