(2S,4S)-4-(4,4-difluoropiperidin-1-yl)pyrrolidine-2-carboxylic acid

C10H16F2N2O2 — CID 142490748

IUPAC(2S,4S)-4-(4,4-difluoropiperidin-1-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](N2CCC(F)(F)CC2)CN1
InChIInChI=1S/C10H16F2N2O2/c11-10(12)1-3-14(4-2-10)7-5-8(9(15)16)13-6-7/h7-8,13H,1-6H2,(H,15,16)/t7-,8-/m0/s1
InChIKeySMOFNUHVDVQSOG-YUMQZZPRSA-N
MW234.25 g/mol
LogP0.53
Rot. Bonds2

About (2S,4S)-4-(4,4-difluoropiperidin-1-yl)pyrrolidine-2-carboxylic acid

(2S,4S)-4-(4,4-difluoropiperidin-1-yl)pyrrolidine-2-carboxylic acid (PubChem CID 142490748) has the molecular formula C10H16F2N2O2 and a molecular weight of 234.25 g/mol. Its IUPAC name is (2S,4S)-4-(4,4-difluoropiperidin-1-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-(4,4-difluoropiperidin-1-yl)pyrrolidine-2-carboxylic acid
PubChem CID142490748
Molecular FormulaC10H16F2N2O2
Molecular Weight234.25 g/mol
Exact Mass234.12
IUPAC Name(2S,4S)-4-(4,4-difluoropiperidin-1-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](N2CCC(F)(F)CC2)CN1
InChIInChI=1S/C10H16F2N2O2/c11-10(12)1-3-14(4-2-10)7-5-8(9(15)16)13-6-7/h7-8,13H,1-6H2,(H,15,16)/t7-,8-/m0/s1
InChIKeySMOFNUHVDVQSOG-YUMQZZPRSA-N
XLogP0.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-(4,4-difluoropiperidin-1-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-(4,4-difluoropiperidin-1-yl)pyrrolidine-2-carboxylic acid (CID 142490748) is (2S,4S)-4-(4,4-difluoropiperidin-1-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-(4,4-difluoropiperidin-1-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-(4,4-difluoropiperidin-1-yl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@H](N2CCC(F)(F)CC2)CN1.
What is the InChIKey of (2S,4S)-4-(4,4-difluoropiperidin-1-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is SMOFNUHVDVQSOG-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H16F2N2O2/c11-10(12)1-3-14(4-2-10)7-5-8(9(15)16)13-6-7/h7-8,13H,1-6H2,(H,15,16)/t7-,8-/m0/s1.
What are the key properties of (2S,4S)-4-(4,4-difluoropiperidin-1-yl)pyrrolidine-2-carboxylic acid?
(2S,4S)-4-(4,4-difluoropiperidin-1-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 234.25 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-(4,4-difluoropiperidin-1-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 142490748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).