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

C10H17F2NO2 — CID 67444614

IUPACmethyl 2-[[(1R)-3,3-difluorocyclopentyl]amino]butanoate
SMILESCCC(N[C@@H]1CCC(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-GVHYBUMESA-N
MW221.25 g/mol
LogP1.72
Rot. Bonds4

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

methyl 2-[[(1R)-3,3-difluorocyclopentyl]amino]butanoate (PubChem CID 67444614) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is methyl 2-[[(1R)-3,3-difluorocyclopentyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 2-[[(1R)-3,3-difluorocyclopentyl]amino]butanoate
PubChem CID67444614
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Namemethyl 2-[[(1R)-3,3-difluorocyclopentyl]amino]butanoate
SMILESCCC(N[C@@H]1CCC(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-GVHYBUMESA-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

CID 45082563
CID 45082563
CID 22080509
CID 22080509
CID 59254339
CID 59254339
CID 15487557
CID 15487557
CID 15487558
CID 15487558
CID 18623637
CID 18623637
CID 58405759
CID 58405759
CID 60997985
CID 60997985
CID 67444615
CID 67444615
CID 67446056
CID 67446056
CID 67446058
CID 67446058
CID 67446059
CID 67446059

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(1R)-3,3-difluorocyclopentyl]amino]butanoate?
The IUPAC name of methyl 2-[[(1R)-3,3-difluorocyclopentyl]amino]butanoate (CID 67444614) is methyl 2-[[(1R)-3,3-difluorocyclopentyl]amino]butanoate.
What is the SMILES notation for methyl 2-[[(1R)-3,3-difluorocyclopentyl]amino]butanoate?
The canonical SMILES for methyl 2-[[(1R)-3,3-difluorocyclopentyl]amino]butanoate is CCC(N[C@@H]1CCC(F)(F)C1)C(=O)OC.
What is the InChIKey of methyl 2-[[(1R)-3,3-difluorocyclopentyl]amino]butanoate?
The InChIKey is RZNMMCDSJLKNHZ-GVHYBUMESA-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 2-[[(1R)-3,3-difluorocyclopentyl]amino]butanoate?
methyl 2-[[(1R)-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 2-[[(1R)-3,3-difluorocyclopentyl]amino]butanoate is sourced from PubChem (CID 67444614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).