benzyl 2-amino-3-methylcyclopentane-1-carboxylate

C14H19NO2 — CID 130794162

IUPACbenzyl 2-amino-3-methylcyclopentane-1-carboxylate
SMILESCC1CCC(C(=O)OCc2ccccc2)C1N
InChIInChI=1S/C14H19NO2/c1-10-7-8-12(13(10)15)14(16)17-9-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9,15H2,1H3
InChIKeyHRPYBEOWZXKQJO-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.10
Rot. Bonds3

About benzyl 2-amino-3-methylcyclopentane-1-carboxylate

benzyl 2-amino-3-methylcyclopentane-1-carboxylate (PubChem CID 130794162) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is benzyl 2-amino-3-methylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-amino-3-methylcyclopentane-1-carboxylate
PubChem CID130794162
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namebenzyl 2-amino-3-methylcyclopentane-1-carboxylate
SMILESCC1CCC(C(=O)OCc2ccccc2)C1N
InChIInChI=1S/C14H19NO2/c1-10-7-8-12(13(10)15)14(16)17-9-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9,15H2,1H3
InChIKeyHRPYBEOWZXKQJO-UHFFFAOYSA-N
XLogP2.10
TPSA52.32 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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-amino-3-methylcyclopentane-1-carboxylate?
The IUPAC name of benzyl 2-amino-3-methylcyclopentane-1-carboxylate (CID 130794162) is benzyl 2-amino-3-methylcyclopentane-1-carboxylate.
What is the SMILES notation for benzyl 2-amino-3-methylcyclopentane-1-carboxylate?
The canonical SMILES for benzyl 2-amino-3-methylcyclopentane-1-carboxylate is CC1CCC(C(=O)OCc2ccccc2)C1N.
What is the InChIKey of benzyl 2-amino-3-methylcyclopentane-1-carboxylate?
The InChIKey is HRPYBEOWZXKQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-7-8-12(13(10)15)14(16)17-9-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9,15H2,1H3.
What are the key properties of benzyl 2-amino-3-methylcyclopentane-1-carboxylate?
benzyl 2-amino-3-methylcyclopentane-1-carboxylate has a molecular weight of 233.31 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-amino-3-methylcyclopentane-1-carboxylate is sourced from PubChem (CID 130794162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).