(2-fluorophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate

C14H18FNO2 — CID 82763399

IUPAC(2-fluorophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate
SMILESCC1(C(=O)OCc2ccccc2F)CCCC1N
InChIInChI=1S/C14H18FNO2/c1-14(8-4-7-12(14)16)13(17)18-9-10-5-2-3-6-11(10)15/h2-3,5-6,12H,4,7-9,16H2,1H3
InChIKeyGOOPBWAVOPDJCT-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.39
Rot. Bonds3

About (2-fluorophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate

(2-fluorophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate (PubChem CID 82763399) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate
PubChem CID82763399
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name(2-fluorophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate
SMILESCC1(C(=O)OCc2ccccc2F)CCCC1N
InChIInChI=1S/C14H18FNO2/c1-14(8-4-7-12(14)16)13(17)18-9-10-5-2-3-6-11(10)15/h2-3,5-6,12H,4,7-9,16H2,1H3
InChIKeyGOOPBWAVOPDJCT-UHFFFAOYSA-N
XLogP2.39
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate?
The IUPAC name of (2-fluorophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate (CID 82763399) is (2-fluorophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate.
What is the SMILES notation for (2-fluorophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate?
The canonical SMILES for (2-fluorophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate is CC1(C(=O)OCc2ccccc2F)CCCC1N.
What is the InChIKey of (2-fluorophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate?
The InChIKey is GOOPBWAVOPDJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-14(8-4-7-12(14)16)13(17)18-9-10-5-2-3-6-11(10)15/h2-3,5-6,12H,4,7-9,16H2,1H3.
What are the key properties of (2-fluorophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate?
(2-fluorophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate has a molecular weight of 251.30 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate is sourced from PubChem (CID 82763399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).