(2R)-2-(cyanomethyl)-N,1-bis(deuteriomethyl)pyrrolidine-2-carboxamide

C9H15N3O — CID 141114786

IUPAC(2R)-2-(cyanomethyl)-N,1-bis(deuteriomethyl)pyrrolidine-2-carboxamide
SMILES[2H]CNC(=O)[C@]1(CC#N)CCCN1C[2H]
InChIInChI=1S/C9H15N3O/c1-11-8(13)9(5-6-10)4-3-7-12(9)2/h3-5,7H2,1-2H3,(H,11,13)/t9-/m1/s1/i1D,2D
InChIKeyLQYVCCIDPMLWGZ-BFCKLWNOSA-N
MW183.25 g/mol
LogP0.11
Rot. Bonds4

About (2R)-2-(cyanomethyl)-N,1-bis(deuteriomethyl)pyrrolidine-2-carboxamide

(2R)-2-(cyanomethyl)-N,1-bis(deuteriomethyl)pyrrolidine-2-carboxamide (PubChem CID 141114786) has the molecular formula C9H15N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is (2R)-2-(cyanomethyl)-N,1-bis(deuteriomethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-2-(cyanomethyl)-N,1-bis(deuteriomethyl)pyrrolidine-2-carboxamide
PubChem CID141114786
Molecular FormulaC9H15N3O
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(2R)-2-(cyanomethyl)-N,1-bis(deuteriomethyl)pyrrolidine-2-carboxamide
SMILES[2H]CNC(=O)[C@]1(CC#N)CCCN1C[2H]
InChIInChI=1S/C9H15N3O/c1-11-8(13)9(5-6-10)4-3-7-12(9)2/h3-5,7H2,1-2H3,(H,11,13)/t9-/m1/s1/i1D,2D
InChIKeyLQYVCCIDPMLWGZ-BFCKLWNOSA-N
XLogP0.11
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(cyanomethyl)-N,1-bis(deuteriomethyl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-(deuteriomethyl)-2-[(2R)-2-hydroxypropyl]pyrrolidine-2-carboxamide
CID 141114850
2-(1,2-dimethylpyrrolidin-2-yl)acetonitrile
CID 130291955
2-(2-methyl-1-oxaspiro[4.4]nonan-2-yl)acetonitrile
CID 130585735
2-ethyl-1-methyl-N-propylpyrrolidine-2-carboxamide
CID 176987629
2-cyano-1-methylpyrrolidine-2-carboxamide
CID 121227036
N-(2-cyanopropan-2-yl)-1,2-dimethylpyrrolidine-2-carboxamide
CID 154527803
1-(cyanomethylsulfonyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83075193
1-(1-cyanoethyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978796
acetic acid;carbonocyanidic acid;tris(1,2,2,3,3-pentamethylpiperidine)
CID 175423936
N-(2-cyanoethyl)-1-methylcyclohexane-1-carboxamide
CID 106827286
4-(cyanomethyl)-4-ethylpiperidine-1-carboxylic acid
CID 66661129
2,5-dimethyl-2,5-diazaspiro[3.4]octan-3-one;2-(methylamino)acetonitrile
CID 123453716

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyanomethyl)-N,1-bis(deuteriomethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-2-(cyanomethyl)-N,1-bis(deuteriomethyl)pyrrolidine-2-carboxamide (CID 141114786) is (2R)-2-(cyanomethyl)-N,1-bis(deuteriomethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-2-(cyanomethyl)-N,1-bis(deuteriomethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-2-(cyanomethyl)-N,1-bis(deuteriomethyl)pyrrolidine-2-carboxamide is [2H]CNC(=O)[C@]1(CC#N)CCCN1C[2H].
What is the InChIKey of (2R)-2-(cyanomethyl)-N,1-bis(deuteriomethyl)pyrrolidine-2-carboxamide?
The InChIKey is LQYVCCIDPMLWGZ-BFCKLWNOSA-N. The full InChI is InChI=1S/C9H15N3O/c1-11-8(13)9(5-6-10)4-3-7-12(9)2/h3-5,7H2,1-2H3,(H,11,13)/t9-/m1/s1/i1D,2D.
What are the key properties of (2R)-2-(cyanomethyl)-N,1-bis(deuteriomethyl)pyrrolidine-2-carboxamide?
(2R)-2-(cyanomethyl)-N,1-bis(deuteriomethyl)pyrrolidine-2-carboxamide has a molecular weight of 183.25 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyanomethyl)-N,1-bis(deuteriomethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 141114786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).