(2S)-2,5,5-trideuteriopyrrolidine-2-carboxamide

C5H10N2O — CID 154789990

IUPAC(2S)-2,5,5-trideuteriopyrrolidine-2-carboxamide
SMILES[2H]C1([2H])CC[C@@]([2H])(C(N)=O)N1
InChIInChI=1S/C5H10N2O/c6-5(8)4-2-1-3-7-4/h4,7H,1-3H2,(H2,6,8)/t4-/m0/s1/i3D2,4D
InChIKeyVLJNHYLEOZPXFW-KIZNEYSQSA-N
MW117.17 g/mol
LogP-0.78
Rot. Bonds1

About (2S)-2,5,5-trideuteriopyrrolidine-2-carboxamide

(2S)-2,5,5-trideuteriopyrrolidine-2-carboxamide (PubChem CID 154789990) has the molecular formula C5H10N2O and a molecular weight of 117.17 g/mol. Its IUPAC name is (2S)-2,5,5-trideuteriopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-2,5,5-trideuteriopyrrolidine-2-carboxamide
PubChem CID154789990
Molecular FormulaC5H10N2O
Molecular Weight117.17 g/mol
Exact Mass117.10
IUPAC Name(2S)-2,5,5-trideuteriopyrrolidine-2-carboxamide
SMILES[2H]C1([2H])CC[C@@]([2H])(C(N)=O)N1
InChIInChI=1S/C5H10N2O/c6-5(8)4-2-1-3-7-4/h4,7H,1-3H2,(H2,6,8)/t4-/m0/s1/i3D2,4D
InChIKeyVLJNHYLEOZPXFW-KIZNEYSQSA-N
XLogP-0.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,3,3,4,5,5,6,6-nonadeuteriopiperidine-4-carboxamide
CID 131869337
pyrrolidine-2-carboxamide;dihydrobromide
CID 70056458
cyclohexane;cyclohexane-1,4-dicarboxamide
CID 70276765
(2S)-1,2-dideuteriopyrrolidine-2-carboxylic acid
CID 54159346
(2S,3S)-3-cyclohexylpyrrolidine-2-carboxamide
CID 141395914
chloromethane;(2R)-pyrrolidine-2-carboxamide
CID 143336240
(2R,5R)-pyrrolidine-2,5-dicarboxamide
CID 93496955
(2S,5S)-5-deuteriopyrrolidine-2-carboxylic acid
CID 101007276
trans-(1S,2S)-2-acetylcyclobutane-1-carboxamide
CID 55290686
bicyclo[6.1.0]nonane-9-carboxamide
CID 10012283
trans-(1R,2R)-2-acetylcyclobutane-1-carboxamide
CID 45084156
(3R)-2-(2-amino-2-oxoethyl)pyrrolidine-3-carboxylic acid
CID 66899489

Frequently Asked Questions

What is the IUPAC name of (2S)-2,5,5-trideuteriopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-2,5,5-trideuteriopyrrolidine-2-carboxamide (CID 154789990) is (2S)-2,5,5-trideuteriopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-2,5,5-trideuteriopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-2,5,5-trideuteriopyrrolidine-2-carboxamide is [2H]C1([2H])CC[C@@]([2H])(C(N)=O)N1.
What is the InChIKey of (2S)-2,5,5-trideuteriopyrrolidine-2-carboxamide?
The InChIKey is VLJNHYLEOZPXFW-KIZNEYSQSA-N. The full InChI is InChI=1S/C5H10N2O/c6-5(8)4-2-1-3-7-4/h4,7H,1-3H2,(H2,6,8)/t4-/m0/s1/i3D2,4D.
What are the key properties of (2S)-2,5,5-trideuteriopyrrolidine-2-carboxamide?
(2S)-2,5,5-trideuteriopyrrolidine-2-carboxamide has a molecular weight of 117.17 g/mol, XLogP of -0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5,5-trideuteriopyrrolidine-2-carboxamide is sourced from PubChem (CID 154789990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).