3-[(3,3-difluorocyclopentanecarbonyl)amino]propanoic acid;methane

C10H17F2NO3 — CID 177183461

IUPAC3-[(3,3-difluorocyclopentanecarbonyl)amino]propanoic acid;methane
SMILESC.O=C(O)CCNC(=O)C1CCC(F)(F)C1
InChIInChI=1S/C9H13F2NO3.CH4/c10-9(11)3-1-6(5-9)8(15)12-4-2-7(13)14;/h6H,1-5H2,(H,12,15)(H,13,14);1H4
InChIKeyMCWLOGZLPQXXRZ-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.65
Rot. Bonds4

About 3-[(3,3-difluorocyclopentanecarbonyl)amino]propanoic acid;methane

3-[(3,3-difluorocyclopentanecarbonyl)amino]propanoic acid;methane (PubChem CID 177183461) has the molecular formula C10H17F2NO3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 3-[(3,3-difluorocyclopentanecarbonyl)amino]propanoic acid;methane.

Molecular Properties

Compound Name3-[(3,3-difluorocyclopentanecarbonyl)amino]propanoic acid;methane
PubChem CID177183461
Molecular FormulaC10H17F2NO3
Molecular Weight237.25 g/mol
Exact Mass237.12
IUPAC Name3-[(3,3-difluorocyclopentanecarbonyl)amino]propanoic acid;methane
SMILESC.O=C(O)CCNC(=O)C1CCC(F)(F)C1
InChIInChI=1S/C9H13F2NO3.CH4/c10-9(11)3-1-6(5-9)8(15)12-4-2-7(13)14;/h6H,1-5H2,(H,12,15)(H,13,14);1H4
InChIKeyMCWLOGZLPQXXRZ-UHFFFAOYSA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-difluorocyclopentanecarbonyl)amino]propanoic acid;methane?
The IUPAC name of 3-[(3,3-difluorocyclopentanecarbonyl)amino]propanoic acid;methane (CID 177183461) is 3-[(3,3-difluorocyclopentanecarbonyl)amino]propanoic acid;methane.
What is the SMILES notation for 3-[(3,3-difluorocyclopentanecarbonyl)amino]propanoic acid;methane?
The canonical SMILES for 3-[(3,3-difluorocyclopentanecarbonyl)amino]propanoic acid;methane is C.O=C(O)CCNC(=O)C1CCC(F)(F)C1.
What is the InChIKey of 3-[(3,3-difluorocyclopentanecarbonyl)amino]propanoic acid;methane?
The InChIKey is MCWLOGZLPQXXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO3.CH4/c10-9(11)3-1-6(5-9)8(15)12-4-2-7(13)14;/h6H,1-5H2,(H,12,15)(H,13,14);1H4.
What are the key properties of 3-[(3,3-difluorocyclopentanecarbonyl)amino]propanoic acid;methane?
3-[(3,3-difluorocyclopentanecarbonyl)amino]propanoic acid;methane has a molecular weight of 237.25 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-difluorocyclopentanecarbonyl)amino]propanoic acid;methane is sourced from PubChem (CID 177183461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).