(3S,4R)-3,4-dihydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

C7H11F3N2O3 — CID 103739416

IUPAC(3S,4R)-3,4-dihydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C7H11F3N2O3/c8-7(9,10)3-11-6(15)12-1-4(13)5(14)2-12/h4-5,13-14H,1-3H2,(H,11,15)/t4-,5+
InChIKeyFDAWDTUWNKYYHB-SYDPRGILSA-N
MW228.17 g/mol
LogP-0.70
Rot. Bonds1

About (3S,4R)-3,4-dihydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

(3S,4R)-3,4-dihydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (PubChem CID 103739416) has the molecular formula C7H11F3N2O3 and a molecular weight of 228.17 g/mol. Its IUPAC name is (3S,4R)-3,4-dihydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S,4R)-3,4-dihydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
PubChem CID103739416
Molecular FormulaC7H11F3N2O3
Molecular Weight228.17 g/mol
Exact Mass228.07
IUPAC Name(3S,4R)-3,4-dihydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C7H11F3N2O3/c8-7(9,10)3-11-6(15)12-1-4(13)5(14)2-12/h4-5,13-14H,1-3H2,(H,11,15)/t4-,5+
InChIKeyFDAWDTUWNKYYHB-SYDPRGILSA-N
XLogP-0.70
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydroxypyrrolidin-2-yl)-2,2,2-trifluoro-N-methylacetamide
CID 87524500
(3R,4R)-3-fluoro-4-hydroxy-N-methylpyrrolidine-1-carboxamide
CID 122536269
(3S,4S)-3-fluoro-4-hydroxy-N-methylpyrrolidine-1-carboxamide
CID 122536272
(3S,4S)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-carboxamide
CID 138583447
(3R,4R)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-carboxamide
CID 138583552
3-Fluoro-4-hydroxypyrrolidine-1-carboxamide
CID 152447553
(3S)-3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 103646810
(3R)-3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 103646814
N-(3,3-difluoro-2-hydroxypropyl)pyrrolidine-1-carboxamide
CID 103731763
3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 104410864
N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-1-carboxamide
CID 104858624
1-[2-[(3,3,3-Trifluoro-2-hydroxypropyl)amino]ethyl]imidazolidin-2-one
CID 105645031

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3,4-dihydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S,4R)-3,4-dihydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (CID 103739416) is (3S,4R)-3,4-dihydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S,4R)-3,4-dihydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S,4R)-3,4-dihydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is O=C(NCC(F)(F)F)N1C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of (3S,4R)-3,4-dihydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The InChIKey is FDAWDTUWNKYYHB-SYDPRGILSA-N. The full InChI is InChI=1S/C7H11F3N2O3/c8-7(9,10)3-11-6(15)12-1-4(13)5(14)2-12/h4-5,13-14H,1-3H2,(H,11,15)/t4-,5+.
What are the key properties of (3S,4R)-3,4-dihydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
(3S,4R)-3,4-dihydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide has a molecular weight of 228.17 g/mol, XLogP of -0.70, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3,4-dihydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 103739416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).