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Methyl 1-amino-2-[2-(3-fluoro-N-methylanilino)ethyl]cyclopentane-1-carboxylate

C16H23FN2O2 — CID 79572538

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACmethyl 1-amino-2-[2-(3-fluoro-N-methylanilino)ethyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(N)CCCC1CCN(C)c1cccc(F)c1
InChIInChI=1S/C16H23FN2O2/c1-19(14-7-3-6-13(17)11-14)10-8-12-5-4-9-16(12,18)15(20)21-2/h3,6-7,11-12H,4-5,8-10,18H2,1-2H3
InChIKeyQBXGOKUVMNPVLO-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.32
Rot. Bonds5

About Methyl 1-amino-2-[2-(3-fluoro-N-methylanilino)ethyl]cyclopentane-1-carboxylate

Methyl 1-amino-2-[2-(3-fluoro-N-methylanilino)ethyl]cyclopentane-1-carboxylate (PubChem CID 79572538) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is methyl 1-amino-2-[2-(3-fluoro-N-methylanilino)ethyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound NameMethyl 1-amino-2-[2-(3-fluoro-N-methylanilino)ethyl]cyclopentane-1-carboxylate
PubChem CID79572538
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Namemethyl 1-amino-2-[2-(3-fluoro-N-methylanilino)ethyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(N)CCCC1CCN(C)c1cccc(F)c1
InChIInChI=1S/C16H23FN2O2/c1-19(14-7-3-6-13(17)11-14)10-8-12-5-4-9-16(12,18)15(20)21-2/h3,6-7,11-12H,4-5,8-10,18H2,1-2H3
InChIKeyQBXGOKUVMNPVLO-UHFFFAOYSA-N
XLogP2.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of Methyl 1-amino-2-[2-(3-fluoro-N-methylanilino)ethyl]cyclopentane-1-carboxylate?
The IUPAC name of Methyl 1-amino-2-[2-(3-fluoro-N-methylanilino)ethyl]cyclopentane-1-carboxylate (CID 79572538) is methyl 1-amino-2-[2-(3-fluoro-N-methylanilino)ethyl]cyclopentane-1-carboxylate.
What is the SMILES notation for Methyl 1-amino-2-[2-(3-fluoro-N-methylanilino)ethyl]cyclopentane-1-carboxylate?
The canonical SMILES for Methyl 1-amino-2-[2-(3-fluoro-N-methylanilino)ethyl]cyclopentane-1-carboxylate is COC(=O)C1(N)CCCC1CCN(C)c1cccc(F)c1.
What is the InChIKey of Methyl 1-amino-2-[2-(3-fluoro-N-methylanilino)ethyl]cyclopentane-1-carboxylate?
The InChIKey is QBXGOKUVMNPVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-19(14-7-3-6-13(17)11-14)10-8-12-5-4-9-16(12,18)15(20)21-2/h3,6-7,11-12H,4-5,8-10,18H2,1-2H3.
What are the key properties of Methyl 1-amino-2-[2-(3-fluoro-N-methylanilino)ethyl]cyclopentane-1-carboxylate?
Methyl 1-amino-2-[2-(3-fluoro-N-methylanilino)ethyl]cyclopentane-1-carboxylate has a molecular weight of 294.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Methyl 1-amino-2-[2-(3-fluoro-N-methylanilino)ethyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 79572538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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