1-[(2R)-2-amino-3-methylbutanoyl]pyrrolidine-3-carbonitrile

C10H17N3O — CID 164650433

IUPAC1-[(2R)-2-amino-3-methylbutanoyl]pyrrolidine-3-carbonitrile
SMILESCC(C)[C@@H](N)C(=O)N1CCC(C#N)C1
InChIInChI=1S/C10H17N3O/c1-7(2)9(12)10(14)13-4-3-8(5-11)6-13/h7-9H,3-4,6,12H2,1-2H3/t8?,9-/m1/s1
InChIKeyZBDWCICRKMUHNZ-YGPZHTELSA-N
MW195.27 g/mol
LogP0.34
Rot. Bonds2

About 1-[(2R)-2-amino-3-methylbutanoyl]pyrrolidine-3-carbonitrile

1-[(2R)-2-amino-3-methylbutanoyl]pyrrolidine-3-carbonitrile (PubChem CID 164650433) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-[(2R)-2-amino-3-methylbutanoyl]pyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name1-[(2R)-2-amino-3-methylbutanoyl]pyrrolidine-3-carbonitrile
PubChem CID164650433
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-[(2R)-2-amino-3-methylbutanoyl]pyrrolidine-3-carbonitrile
SMILESCC(C)[C@@H](N)C(=O)N1CCC(C#N)C1
InChIInChI=1S/C10H17N3O/c1-7(2)9(12)10(14)13-4-3-8(5-11)6-13/h7-9H,3-4,6,12H2,1-2H3/t8?,9-/m1/s1
InChIKeyZBDWCICRKMUHNZ-YGPZHTELSA-N
XLogP0.34
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[(2R)-2-amino-2-cyclopropylacetyl]pyrrolidine-3-carbonitrile
CID 89395754
(2R)-2-amino-3-methyl-1-(3-methylpyrrolidin-1-yl)butan-1-one
CID 79013338
4-[(2S)-2-amino-3-methylbutanoyl]morpholine-2-carbonitrile
CID 79681377
2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)-3-methylbutan-1-one
CID 102957109
(2R)-2-amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 103942705
(3S)-3-cyanopyrrolidine-1-carboxylic acid
CID 69136165
2-amino-1-[3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]-3-methylbutan-1-one
CID 77144341
2-amino-3-methyl-1-[(3S)-3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]butan-1-one
CID 121226203
(2S)-2-amino-3-methyl-1-[3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]butan-1-one
CID 66568039
1-(2-amino-3-methylbutanoyl)azetidine-2-carbonitrile
CID 56593241
N-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]acetamide
CID 77144242
N-[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]acetamide
CID 66567654

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-amino-3-methylbutanoyl]pyrrolidine-3-carbonitrile?
The IUPAC name of 1-[(2R)-2-amino-3-methylbutanoyl]pyrrolidine-3-carbonitrile (CID 164650433) is 1-[(2R)-2-amino-3-methylbutanoyl]pyrrolidine-3-carbonitrile.
What is the SMILES notation for 1-[(2R)-2-amino-3-methylbutanoyl]pyrrolidine-3-carbonitrile?
The canonical SMILES for 1-[(2R)-2-amino-3-methylbutanoyl]pyrrolidine-3-carbonitrile is CC(C)[C@@H](N)C(=O)N1CCC(C#N)C1.
What is the InChIKey of 1-[(2R)-2-amino-3-methylbutanoyl]pyrrolidine-3-carbonitrile?
The InChIKey is ZBDWCICRKMUHNZ-YGPZHTELSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(2)9(12)10(14)13-4-3-8(5-11)6-13/h7-9H,3-4,6,12H2,1-2H3/t8?,9-/m1/s1.
What are the key properties of 1-[(2R)-2-amino-3-methylbutanoyl]pyrrolidine-3-carbonitrile?
1-[(2R)-2-amino-3-methylbutanoyl]pyrrolidine-3-carbonitrile has a molecular weight of 195.27 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-amino-3-methylbutanoyl]pyrrolidine-3-carbonitrile is sourced from PubChem (CID 164650433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).