(3R)-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]pyrrolidine-3-carboxamide

C10H17F3N2O2 — CID 124727558

IUPAC(3R)-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]pyrrolidine-3-carboxamide
SMILESC[C@H](COCC(F)(F)F)NC(=O)[C@@H]1CCNC1
InChIInChI=1S/C10H17F3N2O2/c1-7(5-17-6-10(11,12)13)15-9(16)8-2-3-14-4-8/h7-8,14H,2-6H2,1H3,(H,15,16)/t7-,8-/m1/s1
InChIKeyDAQJUKJHJRXUJL-HTQZYQBOSA-N
MW254.25 g/mol
LogP0.68
Rot. Bonds5

About (3R)-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]pyrrolidine-3-carboxamide

(3R)-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]pyrrolidine-3-carboxamide (PubChem CID 124727558) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is (3R)-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]pyrrolidine-3-carboxamide
PubChem CID124727558
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name(3R)-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]pyrrolidine-3-carboxamide
SMILESC[C@H](COCC(F)(F)F)NC(=O)[C@@H]1CCNC1
InChIInChI=1S/C10H17F3N2O2/c1-7(5-17-6-10(11,12)13)15-9(16)8-2-3-14-4-8/h7-8,14H,2-6H2,1H3,(H,15,16)/t7-,8-/m1/s1
InChIKeyDAQJUKJHJRXUJL-HTQZYQBOSA-N
XLogP0.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(2,2,2-trifluoroethoxy)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673225
N-(5-methylhexan-2-yl)pyrrolidine-3-carboxamide
CID 63005264
(3S)-N-butan-2-ylpyrrolidine-3-carboxamide;hydrochloride
CID 130617096
N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-3-carboxamide
CID 63827244
N-(4-methoxybutan-2-yl)pyrrolidine-3-carboxamide
CID 64603419
N-(1-methoxypropan-2-yl)piperidine-3-carboxamide
CID 18073012
N-(3-methylbutan-2-yl)pyrrolidine-3-carboxamide
CID 63005391
N-(1-phenylmethoxypropan-2-yl)piperidine-3-carboxamide
CID 119335297
N-[1-(dimethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxamide
CID 63005398
(3S)-N-(2-methylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 130617113
N-(3-cyclohexylbutan-2-yl)pyrrolidine-3-carboxamide
CID 119809069
(3R)-N-[(2R)-1-aminopropan-2-yl]piperidine-3-carboxamide
CID 130710975

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]pyrrolidine-3-carboxamide (CID 124727558) is (3R)-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]pyrrolidine-3-carboxamide is C[C@H](COCC(F)(F)F)NC(=O)[C@@H]1CCNC1.
What is the InChIKey of (3R)-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]pyrrolidine-3-carboxamide?
The InChIKey is DAQJUKJHJRXUJL-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-7(5-17-6-10(11,12)13)15-9(16)8-2-3-14-4-8/h7-8,14H,2-6H2,1H3,(H,15,16)/t7-,8-/m1/s1.
What are the key properties of (3R)-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]pyrrolidine-3-carboxamide?
(3R)-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]pyrrolidine-3-carboxamide has a molecular weight of 254.25 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 124727558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).