(2S,5R)-5-(aminomethyl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxolane-2-carboxamide

C12H18F3N3O3 — CID 120793212

IUPAC(2S,5R)-5-(aminomethyl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)NC2CCN(CC(F)(F)F)C2=O)O1
InChIInChI=1S/C12H18F3N3O3/c13-12(14,15)6-18-4-3-8(11(18)20)17-10(19)9-2-1-7(5-16)21-9/h7-9H,1-6,16H2,(H,17,19)/t7-,8?,9+/m1/s1
InChIKeyJPYAPQYLLLBLKM-NBXIYJJMSA-N
MW309.29 g/mol
LogP-0.23
Rot. Bonds4

About (2S,5R)-5-(aminomethyl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxolane-2-carboxamide (PubChem CID 120793212) has the molecular formula C12H18F3N3O3 and a molecular weight of 309.29 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxolane-2-carboxamide
PubChem CID120793212
Molecular FormulaC12H18F3N3O3
Molecular Weight309.29 g/mol
Exact Mass309.13
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)NC2CCN(CC(F)(F)F)C2=O)O1
InChIInChI=1S/C12H18F3N3O3/c13-12(14,15)6-18-4-3-8(11(18)20)17-10(19)9-2-1-7(5-16)21-9/h7-9H,1-6,16H2,(H,17,19)/t7-,8?,9+/m1/s1
InChIKeyJPYAPQYLLLBLKM-NBXIYJJMSA-N
XLogP-0.23
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]oxolane-2-carboxamide
CID 120793260
(2S,5R)-5-(aminomethyl)-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]oxolane-2-carboxamide;hydrochloride
CID 120793465
(2S,5R)-5-(aminomethyl)-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]oxolane-2-carboxamide;hydrochloride
CID 120794195
(2S,5R)-5-(aminomethyl)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]oxolane-2-carboxamide
CID 120795888
N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazolidine-4-carboxamide
CID 119324325
trans-(1R,2R)-2-[[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]cyclohexane-1-carboxamide
CID 129429758
(2S,5R)-5-(aminomethyl)-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]oxolane-2-carboxamide
CID 120795138
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 120797434
(2S,5R)-5-(aminomethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxolane-2-carboxamide
CID 120794258
2-amino-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pentanamide;hydrochloride
CID 119324342
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone
CID 120797796
4-(methylamino)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]butanamide;hydrochloride
CID 119784798

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxolane-2-carboxamide (CID 120793212) is (2S,5R)-5-(aminomethyl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxolane-2-carboxamide is NC[C@H]1CC[C@@H](C(=O)NC2CCN(CC(F)(F)F)C2=O)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxolane-2-carboxamide?
The InChIKey is JPYAPQYLLLBLKM-NBXIYJJMSA-N. The full InChI is InChI=1S/C12H18F3N3O3/c13-12(14,15)6-18-4-3-8(11(18)20)17-10(19)9-2-1-7(5-16)21-9/h7-9H,1-6,16H2,(H,17,19)/t7-,8?,9+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxolane-2-carboxamide has a molecular weight of 309.29 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxolane-2-carboxamide is sourced from PubChem (CID 120793212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).