4-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide

C12H20F3N3O2 — CID 60856640

IUPAC4-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCC1CCN(CC(F)(F)F)C1)C1CC(O)CN1
InChIInChI=1S/C12H20F3N3O2/c13-12(14,15)7-18-2-1-8(6-18)4-17-11(20)10-3-9(19)5-16-10/h8-10,16,19H,1-7H2,(H,17,20)
InChIKeyDXNVVGRSZMVDQR-UHFFFAOYSA-N
MW295.31 g/mol
LogP-0.29
Rot. Bonds4

About 4-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide

4-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 60856640) has the molecular formula C12H20F3N3O2 and a molecular weight of 295.31 g/mol. Its IUPAC name is 4-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID60856640
Molecular FormulaC12H20F3N3O2
Molecular Weight295.31 g/mol
Exact Mass295.15
IUPAC Name4-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCC1CCN(CC(F)(F)F)C1)C1CC(O)CN1
InChIInChI=1S/C12H20F3N3O2/c13-12(14,15)7-18-2-1-8(6-18)4-17-11(20)10-3-9(19)5-16-10/h8-10,16,19H,1-7H2,(H,17,20)
InChIKeyDXNVVGRSZMVDQR-UHFFFAOYSA-N
XLogP-0.29
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119861445
N-(azetidin-3-ylmethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 131159808
2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide
CID 50989385
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride
CID 119854716
3-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119854673
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]adamantane-1-carboxamide
CID 51090941
4-hydroxy-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119756559
(4-hydroxypyrrolidin-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 61261071
1-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine
CID 60856164
N-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119873025
(2R)-2-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide;dihydrochloride
CID 119854697
2-amino-N-[2-oxo-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]ethyl]acetamide
CID 60856801

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide (CID 60856640) is 4-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide is O=C(NCC1CCN(CC(F)(F)F)C1)C1CC(O)CN1.
What is the InChIKey of 4-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is DXNVVGRSZMVDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O2/c13-12(14,15)7-18-2-1-8(6-18)4-17-11(20)10-3-9(19)5-16-10/h8-10,16,19H,1-7H2,(H,17,20).
What are the key properties of 4-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide?
4-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 295.31 g/mol, XLogP of -0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 60856640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).