methyl 2-[cyclopentyl(3-fluoropropyl)amino]acetate

C11H20FNO2 — CID 81339153

IUPACmethyl 2-[cyclopentyl(3-fluoropropyl)amino]acetate
SMILESCOC(=O)CN(CCCF)C1CCCC1
InChIInChI=1S/C11H20FNO2/c1-15-11(14)9-13(8-4-7-12)10-5-2-3-6-10/h10H,2-9H2,1H3
InChIKeyKZDOZFVPRPNVQL-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.76
Rot. Bonds6

About methyl 2-[cyclopentyl(3-fluoropropyl)amino]acetate

methyl 2-[cyclopentyl(3-fluoropropyl)amino]acetate (PubChem CID 81339153) has the molecular formula C11H20FNO2 and a molecular weight of 217.28 g/mol. Its IUPAC name is methyl 2-[cyclopentyl(3-fluoropropyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclopentyl(3-fluoropropyl)amino]acetate
PubChem CID81339153
Molecular FormulaC11H20FNO2
Molecular Weight217.28 g/mol
Exact Mass217.15
IUPAC Namemethyl 2-[cyclopentyl(3-fluoropropyl)amino]acetate
SMILESCOC(=O)CN(CCCF)C1CCCC1
InChIInChI=1S/C11H20FNO2/c1-15-11(14)9-13(8-4-7-12)10-5-2-3-6-10/h10H,2-9H2,1H3
InChIKeyKZDOZFVPRPNVQL-UHFFFAOYSA-N
XLogP1.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopentyl(3-fluoropropyl)amino]acetate?
The IUPAC name of methyl 2-[cyclopentyl(3-fluoropropyl)amino]acetate (CID 81339153) is methyl 2-[cyclopentyl(3-fluoropropyl)amino]acetate.
What is the SMILES notation for methyl 2-[cyclopentyl(3-fluoropropyl)amino]acetate?
The canonical SMILES for methyl 2-[cyclopentyl(3-fluoropropyl)amino]acetate is COC(=O)CN(CCCF)C1CCCC1.
What is the InChIKey of methyl 2-[cyclopentyl(3-fluoropropyl)amino]acetate?
The InChIKey is KZDOZFVPRPNVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO2/c1-15-11(14)9-13(8-4-7-12)10-5-2-3-6-10/h10H,2-9H2,1H3.
What are the key properties of methyl 2-[cyclopentyl(3-fluoropropyl)amino]acetate?
methyl 2-[cyclopentyl(3-fluoropropyl)amino]acetate has a molecular weight of 217.28 g/mol, XLogP of 1.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopentyl(3-fluoropropyl)amino]acetate is sourced from PubChem (CID 81339153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).