(2S)-N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-2-carboxamide

C8H14F2N2O2 — CID 106176647

IUPAC(2S)-N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC(F)(F)CO)[C@@H]1CCCN1
InChIInChI=1S/C8H14F2N2O2/c9-8(10,5-13)4-12-7(14)6-2-1-3-11-6/h6,11,13H,1-5H2,(H,12,14)/t6-/m0/s1
InChIKeyPJYQYMCQVFITQR-LURJTMIESA-N
MW208.21 g/mol
LogP-0.52
Rot. Bonds4

About (2S)-N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-2-carboxamide

(2S)-N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-2-carboxamide (PubChem CID 106176647) has the molecular formula C8H14F2N2O2 and a molecular weight of 208.21 g/mol. Its IUPAC name is (2S)-N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-2-carboxamide
PubChem CID106176647
Molecular FormulaC8H14F2N2O2
Molecular Weight208.21 g/mol
Exact Mass208.10
IUPAC Name(2S)-N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC(F)(F)CO)[C@@H]1CCCN1
InChIInChI=1S/C8H14F2N2O2/c9-8(10,5-13)4-12-7(14)6-2-1-3-11-6/h6,11,13H,1-5H2,(H,12,14)/t6-/m0/s1
InChIKeyPJYQYMCQVFITQR-LURJTMIESA-N
XLogP-0.52
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dihydroxy-2-methylpropyl)pyrrolidine-2-carboxamide
CID 66188372
N-(fluoromethyl)pyrrolidine-2-carboxamide
CID 123273673
N-(2,2-dimethylbutyl)pyrrolidine-2-carboxamide
CID 103461668
N-(2-methyl-2-methylsulfanylpropyl)pyrrolidine-2-carboxamide
CID 115666735
(2S)-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxamide
CID 103795786
N-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxamide
CID 79046602
2-hydroxy-2-methyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid
CID 104901235
(2R)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 106276954
(2R)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-2-carboxamide
CID 103795366
(2R)-N-(4-hydroxy-2,2-dimethylbutyl)piperidine-2-carboxamide
CID 106147826
2-methyl-2-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]butanoic acid
CID 104901372
(2R)-N-ethylpyrrolidine-2-carboxamide;molecular hydrogen
CID 178045420

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-2-carboxamide (CID 106176647) is (2S)-N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-2-carboxamide is O=C(NCC(F)(F)CO)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-2-carboxamide?
The InChIKey is PJYQYMCQVFITQR-LURJTMIESA-N. The full InChI is InChI=1S/C8H14F2N2O2/c9-8(10,5-13)4-12-7(14)6-2-1-3-11-6/h6,11,13H,1-5H2,(H,12,14)/t6-/m0/s1.
What are the key properties of (2S)-N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-2-carboxamide?
(2S)-N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-2-carboxamide has a molecular weight of 208.21 g/mol, XLogP of -0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 106176647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).