4-[[(2R)-2-(difluoromethyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid

C13H20F2N2O3 — CID 122023932

IUPAC4-[[(2R)-2-(difluoromethyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)N2CCC[C@@H]2C(F)F)CC1
InChIInChI=1S/C13H20F2N2O3/c14-11(15)10-2-1-7-17(10)13(20)16-9-5-3-8(4-6-9)12(18)19/h8-11H,1-7H2,(H,16,20)(H,18,19)/t8?,9?,10-/m1/s1
InChIKeyFCJPWJJVSRYFDY-UDNWOFFPSA-N
MW290.31 g/mol
LogP2.07
Rot. Bonds3

About 4-[[(2R)-2-(difluoromethyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid

4-[[(2R)-2-(difluoromethyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 122023932) has the molecular formula C13H20F2N2O3 and a molecular weight of 290.31 g/mol. Its IUPAC name is 4-[[(2R)-2-(difluoromethyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(2R)-2-(difluoromethyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID122023932
Molecular FormulaC13H20F2N2O3
Molecular Weight290.31 g/mol
Exact Mass290.14
IUPAC Name4-[[(2R)-2-(difluoromethyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)N2CCC[C@@H]2C(F)F)CC1
InChIInChI=1S/C13H20F2N2O3/c14-11(15)10-2-1-7-17(10)13(20)16-9-5-3-8(4-6-9)12(18)19/h8-11H,1-7H2,(H,16,20)(H,18,19)/t8?,9?,10-/m1/s1
InChIKeyFCJPWJJVSRYFDY-UDNWOFFPSA-N
XLogP2.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-(difluoromethyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(2R)-2-(difluoromethyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 122023932) is 4-[[(2R)-2-(difluoromethyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(2R)-2-(difluoromethyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(2R)-2-(difluoromethyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NC(=O)N2CCC[C@@H]2C(F)F)CC1.
What is the InChIKey of 4-[[(2R)-2-(difluoromethyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is FCJPWJJVSRYFDY-UDNWOFFPSA-N. The full InChI is InChI=1S/C13H20F2N2O3/c14-11(15)10-2-1-7-17(10)13(20)16-9-5-3-8(4-6-9)12(18)19/h8-11H,1-7H2,(H,16,20)(H,18,19)/t8?,9?,10-/m1/s1.
What are the key properties of 4-[[(2R)-2-(difluoromethyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
4-[[(2R)-2-(difluoromethyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 290.31 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-(difluoromethyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122023932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).