methyl (2R)-2-[(3,3-difluorocyclopentyl)amino]butanoate

C10H17F2NO2 — CID 162556346

IUPACmethyl (2R)-2-[(3,3-difluorocyclopentyl)amino]butanoate
SMILESCC[C@@H](NC1CCC(F)(F)C1)C(=O)OC
InChIInChI=1S/C10H17F2NO2/c1-3-8(9(14)15-2)13-7-4-5-10(11,12)6-7/h7-8,13H,3-6H2,1-2H3/t7?,8-/m1/s1
InChIKeyRZNMMCDSJLKNHZ-BRFYHDHCSA-N
MW221.25 g/mol
LogP1.72
Rot. Bonds4

About methyl (2R)-2-[(3,3-difluorocyclopentyl)amino]butanoate

methyl (2R)-2-[(3,3-difluorocyclopentyl)amino]butanoate (PubChem CID 162556346) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is methyl (2R)-2-[(3,3-difluorocyclopentyl)amino]butanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(3,3-difluorocyclopentyl)amino]butanoate
PubChem CID162556346
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Namemethyl (2R)-2-[(3,3-difluorocyclopentyl)amino]butanoate
SMILESCC[C@@H](NC1CCC(F)(F)C1)C(=O)OC
InChIInChI=1S/C10H17F2NO2/c1-3-8(9(14)15-2)13-7-4-5-10(11,12)6-7/h7-8,13H,3-6H2,1-2H3/t7?,8-/m1/s1
InChIKeyRZNMMCDSJLKNHZ-BRFYHDHCSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-4,4-difluoropyrrolidine-2-carboxylate
CID 45082563
Methyl 2-(cyclopentylamino)acetate
CID 22080509
D-Proline, 4,4-difluoro-, methyl ester
CID 59254339
methyl (2R)-4,4,4-trifluoro-2-(methylamino)butanoate
CID 15487557
methyl (2S)-4,4,4-trifluoro-2-(methylamino)butanoate
CID 15487558
Methyl 4,4-difluoropyrrolidine-2-carboxylate
CID 18623637
Methyl 4,4,4-trifluoro-2-(3,3,3-trifluoropropylamino)butanoate
CID 58405759
Methyl 2-(2,2,2-trifluoroethylamino)pentanoate
CID 60997985
methyl 2-[[(1R)-3,3-difluorocyclopentyl]amino]butanoate
CID 67444614
(R)-methyl 2-((R)-3,3-difluorocyclopentylamino)butanoate
CID 67444615
(R)-tert-butyl 2-((R)-3,3-difluorocyclopentyl amino)butanoate
CID 67446056
tert-butyl 2-[[(1R)-3,3-difluorocyclopentyl]amino]butanoate
CID 67446058

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(3,3-difluorocyclopentyl)amino]butanoate?
The IUPAC name of methyl (2R)-2-[(3,3-difluorocyclopentyl)amino]butanoate (CID 162556346) is methyl (2R)-2-[(3,3-difluorocyclopentyl)amino]butanoate.
What is the SMILES notation for methyl (2R)-2-[(3,3-difluorocyclopentyl)amino]butanoate?
The canonical SMILES for methyl (2R)-2-[(3,3-difluorocyclopentyl)amino]butanoate is CC[C@@H](NC1CCC(F)(F)C1)C(=O)OC.
What is the InChIKey of methyl (2R)-2-[(3,3-difluorocyclopentyl)amino]butanoate?
The InChIKey is RZNMMCDSJLKNHZ-BRFYHDHCSA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-3-8(9(14)15-2)13-7-4-5-10(11,12)6-7/h7-8,13H,3-6H2,1-2H3/t7?,8-/m1/s1.
What are the key properties of methyl (2R)-2-[(3,3-difluorocyclopentyl)amino]butanoate?
methyl (2R)-2-[(3,3-difluorocyclopentyl)amino]butanoate has a molecular weight of 221.25 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(3,3-difluorocyclopentyl)amino]butanoate is sourced from PubChem (CID 162556346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).