(2R)-2-cyclohexyl-2-[(3,3-difluoropyrrolidine-1-carbonyl)amino]acetic acid

C13H20F2N2O3 — CID 166295540

IUPAC(2R)-2-cyclohexyl-2-[(3,3-difluoropyrrolidine-1-carbonyl)amino]acetic acid
SMILESO=C(O)[C@H](NC(=O)N1CCC(F)(F)C1)C1CCCCC1
InChIInChI=1S/C13H20F2N2O3/c14-13(15)6-7-17(8-13)12(20)16-10(11(18)19)9-4-2-1-3-5-9/h9-10H,1-8H2,(H,16,20)(H,18,19)/t10-/m1/s1
InChIKeyFJAPBZKWFVYZAS-SNVBAGLBSA-N
MW290.31 g/mol
LogP2.07
Rot. Bonds3

About (2R)-2-cyclohexyl-2-[(3,3-difluoropyrrolidine-1-carbonyl)amino]acetic acid

(2R)-2-cyclohexyl-2-[(3,3-difluoropyrrolidine-1-carbonyl)amino]acetic acid (PubChem CID 166295540) has the molecular formula C13H20F2N2O3 and a molecular weight of 290.31 g/mol. Its IUPAC name is (2R)-2-cyclohexyl-2-[(3,3-difluoropyrrolidine-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name(2R)-2-cyclohexyl-2-[(3,3-difluoropyrrolidine-1-carbonyl)amino]acetic acid
PubChem CID166295540
Molecular FormulaC13H20F2N2O3
Molecular Weight290.31 g/mol
Exact Mass290.14
IUPAC Name(2R)-2-cyclohexyl-2-[(3,3-difluoropyrrolidine-1-carbonyl)amino]acetic acid
SMILESO=C(O)[C@H](NC(=O)N1CCC(F)(F)C1)C1CCCCC1
InChIInChI=1S/C13H20F2N2O3/c14-13(15)6-7-17(8-13)12(20)16-10(11(18)19)9-4-2-1-3-5-9/h9-10H,1-8H2,(H,16,20)(H,18,19)/t10-/m1/s1
InChIKeyFJAPBZKWFVYZAS-SNVBAGLBSA-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 (2R)-2-cyclohexyl-2-[(3,3-difluoropyrrolidine-1-carbonyl)amino]acetic acid?
The IUPAC name of (2R)-2-cyclohexyl-2-[(3,3-difluoropyrrolidine-1-carbonyl)amino]acetic acid (CID 166295540) is (2R)-2-cyclohexyl-2-[(3,3-difluoropyrrolidine-1-carbonyl)amino]acetic acid.
What is the SMILES notation for (2R)-2-cyclohexyl-2-[(3,3-difluoropyrrolidine-1-carbonyl)amino]acetic acid?
The canonical SMILES for (2R)-2-cyclohexyl-2-[(3,3-difluoropyrrolidine-1-carbonyl)amino]acetic acid is O=C(O)[C@H](NC(=O)N1CCC(F)(F)C1)C1CCCCC1.
What is the InChIKey of (2R)-2-cyclohexyl-2-[(3,3-difluoropyrrolidine-1-carbonyl)amino]acetic acid?
The InChIKey is FJAPBZKWFVYZAS-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20F2N2O3/c14-13(15)6-7-17(8-13)12(20)16-10(11(18)19)9-4-2-1-3-5-9/h9-10H,1-8H2,(H,16,20)(H,18,19)/t10-/m1/s1.
What are the key properties of (2R)-2-cyclohexyl-2-[(3,3-difluoropyrrolidine-1-carbonyl)amino]acetic acid?
(2R)-2-cyclohexyl-2-[(3,3-difluoropyrrolidine-1-carbonyl)amino]acetic 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 (2R)-2-cyclohexyl-2-[(3,3-difluoropyrrolidine-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 166295540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).