(3S)-3-(2,2-difluoropropylamino)pyrrolidine-1-carboxylic acid

C8H14F2N2O2 — CID 69069831

IUPAC(3S)-3-(2,2-difluoropropylamino)pyrrolidine-1-carboxylic acid
SMILESCC(F)(F)CN[C@H]1CCN(C(=O)O)C1
InChIInChI=1S/C8H14F2N2O2/c1-8(9,10)5-11-6-2-3-12(4-6)7(13)14/h6,11H,2-5H2,1H3,(H,13,14)/t6-/m0/s1
InChIKeyGFORKRGPVUQAQK-LURJTMIESA-N
MW208.21 g/mol
LogP0.98
Rot. Bonds3

About (3S)-3-(2,2-difluoropropylamino)pyrrolidine-1-carboxylic acid

(3S)-3-(2,2-difluoropropylamino)pyrrolidine-1-carboxylic acid (PubChem CID 69069831) has the molecular formula C8H14F2N2O2 and a molecular weight of 208.21 g/mol. Its IUPAC name is (3S)-3-(2,2-difluoropropylamino)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-(2,2-difluoropropylamino)pyrrolidine-1-carboxylic acid
PubChem CID69069831
Molecular FormulaC8H14F2N2O2
Molecular Weight208.21 g/mol
Exact Mass208.10
IUPAC Name(3S)-3-(2,2-difluoropropylamino)pyrrolidine-1-carboxylic acid
SMILESCC(F)(F)CN[C@H]1CCN(C(=O)O)C1
InChIInChI=1S/C8H14F2N2O2/c1-8(9,10)5-11-6-2-3-12(4-6)7(13)14/h6,11H,2-5H2,1H3,(H,13,14)/t6-/m0/s1
InChIKeyGFORKRGPVUQAQK-LURJTMIESA-N
XLogP0.98
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2,2-difluoropropylamino)pyrrolidine-1-carboxylic acid?
The IUPAC name of (3S)-3-(2,2-difluoropropylamino)pyrrolidine-1-carboxylic acid (CID 69069831) is (3S)-3-(2,2-difluoropropylamino)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3S)-3-(2,2-difluoropropylamino)pyrrolidine-1-carboxylic acid?
The canonical SMILES for (3S)-3-(2,2-difluoropropylamino)pyrrolidine-1-carboxylic acid is CC(F)(F)CN[C@H]1CCN(C(=O)O)C1.
What is the InChIKey of (3S)-3-(2,2-difluoropropylamino)pyrrolidine-1-carboxylic acid?
The InChIKey is GFORKRGPVUQAQK-LURJTMIESA-N. The full InChI is InChI=1S/C8H14F2N2O2/c1-8(9,10)5-11-6-2-3-12(4-6)7(13)14/h6,11H,2-5H2,1H3,(H,13,14)/t6-/m0/s1.
What are the key properties of (3S)-3-(2,2-difluoropropylamino)pyrrolidine-1-carboxylic acid?
(3S)-3-(2,2-difluoropropylamino)pyrrolidine-1-carboxylic acid has a molecular weight of 208.21 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2,2-difluoropropylamino)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 69069831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).