(3S)-3-hydroxy-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)pyrrolidine-1-carboxamide

C12H21F3N2O2 — CID 75506491

IUPAC(3S)-3-hydroxy-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)pyrrolidine-1-carboxamide
SMILESCC(C)(C)CC(NC(=O)N1CC[C@H](O)C1)C(F)(F)F
InChIInChI=1S/C12H21F3N2O2/c1-11(2,3)6-9(12(13,14)15)16-10(19)17-5-4-8(18)7-17/h8-9,18H,4-7H2,1-3H3,(H,16,19)/t8-,9?/m0/s1
InChIKeyIUHGATXPFOCYAE-IENPIDJESA-N
MW282.31 g/mol
LogP2.13
Rot. Bonds2

About (3S)-3-hydroxy-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)pyrrolidine-1-carboxamide

(3S)-3-hydroxy-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)pyrrolidine-1-carboxamide (PubChem CID 75506491) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is (3S)-3-hydroxy-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-hydroxy-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)pyrrolidine-1-carboxamide
PubChem CID75506491
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name(3S)-3-hydroxy-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)pyrrolidine-1-carboxamide
SMILESCC(C)(C)CC(NC(=O)N1CC[C@H](O)C1)C(F)(F)F
InChIInChI=1S/C12H21F3N2O2/c1-11(2,3)6-9(12(13,14)15)16-10(19)17-5-4-8(18)7-17/h8-9,18H,4-7H2,1-3H3,(H,16,19)/t8-,9?/m0/s1
InChIKeyIUHGATXPFOCYAE-IENPIDJESA-N
XLogP2.13
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-hydroxy-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)pyrrolidine-1-carboxamide (CID 75506491) is (3S)-3-hydroxy-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-hydroxy-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-hydroxy-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)pyrrolidine-1-carboxamide is CC(C)(C)CC(NC(=O)N1CC[C@H](O)C1)C(F)(F)F.
What is the InChIKey of (3S)-3-hydroxy-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is IUHGATXPFOCYAE-IENPIDJESA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-11(2,3)6-9(12(13,14)15)16-10(19)17-5-4-8(18)7-17/h8-9,18H,4-7H2,1-3H3,(H,16,19)/t8-,9?/m0/s1.
What are the key properties of (3S)-3-hydroxy-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)pyrrolidine-1-carboxamide?
(3S)-3-hydroxy-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 75506491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).