N-[(2S)-2-hydroxypropyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C10H15F3N2O3 — CID 83030863

IUPACN-[(2S)-2-hydroxypropyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESC[C@H](O)CNC(=O)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O3/c1-6(16)3-14-9(18)7-2-8(17)15(4-7)5-10(11,12)13/h6-7,16H,2-5H2,1H3,(H,14,18)/t6-,7?/m0/s1
InChIKeyVMKSXPNVVMGQJQ-PKPIPKONSA-N
MW268.23 g/mol
LogP-0.11
Rot. Bonds4

About N-[(2S)-2-hydroxypropyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

N-[(2S)-2-hydroxypropyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 83030863) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is N-[(2S)-2-hydroxypropyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxypropyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID83030863
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC NameN-[(2S)-2-hydroxypropyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESC[C@H](O)CNC(=O)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O3/c1-6(16)3-14-9(18)7-2-8(17)15(4-7)5-10(11,12)13/h6-7,16H,2-5H2,1H3,(H,14,18)/t6-,7?/m0/s1
InChIKeyVMKSXPNVVMGQJQ-PKPIPKONSA-N
XLogP-0.11
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxypropyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxypropyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 83030863) is N-[(2S)-2-hydroxypropyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxypropyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxypropyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is C[C@H](O)CNC(=O)C1CC(=O)N(CC(F)(F)F)C1.
What is the InChIKey of N-[(2S)-2-hydroxypropyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is VMKSXPNVVMGQJQ-PKPIPKONSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-6(16)3-14-9(18)7-2-8(17)15(4-7)5-10(11,12)13/h6-7,16H,2-5H2,1H3,(H,14,18)/t6-,7?/m0/s1.
What are the key properties of N-[(2S)-2-hydroxypropyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
N-[(2S)-2-hydroxypropyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 268.23 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxypropyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 83030863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).