methyl 2-[[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]amino]acetate

C10H16F3NO2 — CID 97140151

IUPACmethyl 2-[[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]amino]acetate
SMILESCOC(=O)CN[C@@H](C1CCCC1)C(F)(F)F
InChIInChI=1S/C10H16F3NO2/c1-16-8(15)6-14-9(10(11,12)13)7-4-2-3-5-7/h7,9,14H,2-6H2,1H3/t9-/m0/s1
InChIKeyQFMQDRIOHXKRFD-VIFPVBQESA-N
MW239.24 g/mol
LogP1.87
Rot. Bonds4

About methyl 2-[[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]amino]acetate

methyl 2-[[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]amino]acetate (PubChem CID 97140151) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is methyl 2-[[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]amino]acetate
PubChem CID97140151
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Namemethyl 2-[[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]amino]acetate
SMILESCOC(=O)CN[C@@H](C1CCCC1)C(F)(F)F
InChIInChI=1S/C10H16F3NO2/c1-16-8(15)6-14-9(10(11,12)13)7-4-2-3-5-7/h7,9,14H,2-6H2,1H3/t9-/m0/s1
InChIKeyQFMQDRIOHXKRFD-VIFPVBQESA-N
XLogP1.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]amino]acetate?
The IUPAC name of methyl 2-[[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]amino]acetate (CID 97140151) is methyl 2-[[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]amino]acetate.
What is the SMILES notation for methyl 2-[[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]amino]acetate?
The canonical SMILES for methyl 2-[[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]amino]acetate is COC(=O)CN[C@@H](C1CCCC1)C(F)(F)F.
What is the InChIKey of methyl 2-[[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]amino]acetate?
The InChIKey is QFMQDRIOHXKRFD-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-16-8(15)6-14-9(10(11,12)13)7-4-2-3-5-7/h7,9,14H,2-6H2,1H3/t9-/m0/s1.
What are the key properties of methyl 2-[[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]amino]acetate?
methyl 2-[[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]amino]acetate has a molecular weight of 239.24 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]amino]acetate is sourced from PubChem (CID 97140151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).