tert-butyl (2R)-2-[[(1R)-3,3-difluorocyclopentyl]amino]butanoate

C13H23F2NO2 — CID 67446056

IUPACtert-butyl (2R)-2-[[(1R)-3,3-difluorocyclopentyl]amino]butanoate
SMILESCC[C@@H](N[C@@H]1CCC(F)(F)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H23F2NO2/c1-5-10(11(17)18-12(2,3)4)16-9-6-7-13(14,15)8-9/h9-10,16H,5-8H2,1-4H3/t9-,10-/m1/s1
InChIKeyHMAFVHXRESHHOA-NXEZZACHSA-N
MW263.33 g/mol
LogP2.88
Rot. Bonds4

About tert-butyl (2R)-2-[[(1R)-3,3-difluorocyclopentyl]amino]butanoate

tert-butyl (2R)-2-[[(1R)-3,3-difluorocyclopentyl]amino]butanoate (PubChem CID 67446056) has the molecular formula C13H23F2NO2 and a molecular weight of 263.33 g/mol. Its IUPAC name is tert-butyl (2R)-2-[[(1R)-3,3-difluorocyclopentyl]amino]butanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[[(1R)-3,3-difluorocyclopentyl]amino]butanoate
PubChem CID67446056
Molecular FormulaC13H23F2NO2
Molecular Weight263.33 g/mol
Exact Mass263.17
IUPAC Nametert-butyl (2R)-2-[[(1R)-3,3-difluorocyclopentyl]amino]butanoate
SMILESCC[C@@H](N[C@@H]1CCC(F)(F)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H23F2NO2/c1-5-10(11(17)18-12(2,3)4)16-9-6-7-13(14,15)8-9/h9-10,16H,5-8H2,1-4H3/t9-,10-/m1/s1
InChIKeyHMAFVHXRESHHOA-NXEZZACHSA-N
XLogP2.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R,4R)-4-fluoropyrrolidine-2-carboxylate
CID 124585642
tert-butyl (2S)-4,4-difluoropyrrolidine-2-carboxylate;hydrochloride
CID 177798137
tert-butyl (2R)-4,4-difluoropyrrolidine-2-carboxylate;hydrochloride
CID 177799730
Tert-butyl 4-fluoropyrrolidine-2-carboxylate
CID 23343190
tert-butyl 4-fluoro-L-prolinate
CID 57217836
methyl 2-[[(1R)-3,3-difluorocyclopentyl]amino]butanoate
CID 67444614
(R)-methyl 2-((R)-3,3-difluorocyclopentylamino)butanoate
CID 67444615
tert-butyl 2-[[(1R)-3,3-difluorocyclopentyl]amino]butanoate
CID 67446058
Tert-butyl 2-[(3,3-difluorocyclopentyl)amino]butanoate
CID 67446059
Methyl 2-[(3,3-difluorocyclopentyl)amino]butanoate
CID 71602922
tert-butyl (S)-4,4-difluoropyrrolidine-2-carboxylate
CID 117929437
Tert-butyl 4,4-difluoropyrrolidine-2-carboxylate
CID 121605130

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[[(1R)-3,3-difluorocyclopentyl]amino]butanoate?
The IUPAC name of tert-butyl (2R)-2-[[(1R)-3,3-difluorocyclopentyl]amino]butanoate (CID 67446056) is tert-butyl (2R)-2-[[(1R)-3,3-difluorocyclopentyl]amino]butanoate.
What is the SMILES notation for tert-butyl (2R)-2-[[(1R)-3,3-difluorocyclopentyl]amino]butanoate?
The canonical SMILES for tert-butyl (2R)-2-[[(1R)-3,3-difluorocyclopentyl]amino]butanoate is CC[C@@H](N[C@@H]1CCC(F)(F)C1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-[[(1R)-3,3-difluorocyclopentyl]amino]butanoate?
The InChIKey is HMAFVHXRESHHOA-NXEZZACHSA-N. The full InChI is InChI=1S/C13H23F2NO2/c1-5-10(11(17)18-12(2,3)4)16-9-6-7-13(14,15)8-9/h9-10,16H,5-8H2,1-4H3/t9-,10-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[[(1R)-3,3-difluorocyclopentyl]amino]butanoate?
tert-butyl (2R)-2-[[(1R)-3,3-difluorocyclopentyl]amino]butanoate has a molecular weight of 263.33 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[[(1R)-3,3-difluorocyclopentyl]amino]butanoate is sourced from PubChem (CID 67446056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).