(3S)-N-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-hydroxypyrrolidine-1-carboxamide

C12H19F3N2O2 — CID 86792371

IUPAC(3S)-N-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-hydroxypyrrolidine-1-carboxamide
SMILESO=C(NC(C1CCCC1)C(F)(F)F)N1CC[C@H](O)C1
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)10(8-3-1-2-4-8)16-11(19)17-6-5-9(18)7-17/h8-10,18H,1-7H2,(H,16,19)/t9-,10?/m0/s1
InChIKeyZPXCPKVFOIJZJX-RGURZIINSA-N
MW280.29 g/mol
LogP1.88
Rot. Bonds2

About (3S)-N-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-hydroxypyrrolidine-1-carboxamide

(3S)-N-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-hydroxypyrrolidine-1-carboxamide (PubChem CID 86792371) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is (3S)-N-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-hydroxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-hydroxypyrrolidine-1-carboxamide
PubChem CID86792371
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC Name(3S)-N-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-hydroxypyrrolidine-1-carboxamide
SMILESO=C(NC(C1CCCC1)C(F)(F)F)N1CC[C@H](O)C1
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)10(8-3-1-2-4-8)16-11(19)17-6-5-9(18)7-17/h8-10,18H,1-7H2,(H,16,19)/t9-,10?/m0/s1
InChIKeyZPXCPKVFOIJZJX-RGURZIINSA-N
XLogP1.88
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-hydroxypyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-hydroxypyrrolidine-1-carboxamide (CID 86792371) is (3S)-N-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-hydroxypyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-hydroxypyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-hydroxypyrrolidine-1-carboxamide is O=C(NC(C1CCCC1)C(F)(F)F)N1CC[C@H](O)C1.
What is the InChIKey of (3S)-N-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-hydroxypyrrolidine-1-carboxamide?
The InChIKey is ZPXCPKVFOIJZJX-RGURZIINSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c13-12(14,15)10(8-3-1-2-4-8)16-11(19)17-6-5-9(18)7-17/h8-10,18H,1-7H2,(H,16,19)/t9-,10?/m0/s1.
What are the key properties of (3S)-N-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-hydroxypyrrolidine-1-carboxamide?
(3S)-N-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-hydroxypyrrolidine-1-carboxamide has a molecular weight of 280.29 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-hydroxypyrrolidine-1-carboxamide is sourced from PubChem (CID 86792371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).