(2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbonitrile

C11H19N3O — CID 11469862

IUPAC(2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbonitrile
SMILESCC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C#N
InChIInChI=1S/C11H19N3O/c1-3-8(2)10(13)11(15)14-6-4-5-9(14)7-12/h8-10H,3-6,13H2,1-2H3/t8-,9-,10-/m0/s1
InChIKeyMWPYFGLASMUYAV-GUBZILKMSA-N
MW209.29 g/mol
LogP0.87
Rot. Bonds3

About (2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbonitrile

(2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbonitrile (PubChem CID 11469862) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is (2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbonitrile
PubChem CID11469862
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name(2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbonitrile
SMILESCC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C#N
InChIInChI=1S/C11H19N3O/c1-3-8(2)10(13)11(15)14-6-4-5-9(14)7-12/h8-10H,3-6,13H2,1-2H3/t8-,9-,10-/m0/s1
InChIKeyMWPYFGLASMUYAV-GUBZILKMSA-N
XLogP0.87
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbonitrile?
The IUPAC name of (2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbonitrile (CID 11469862) is (2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbonitrile.
What is the SMILES notation for (2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbonitrile?
The canonical SMILES for (2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbonitrile is CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C#N.
What is the InChIKey of (2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbonitrile?
The InChIKey is MWPYFGLASMUYAV-GUBZILKMSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-8(2)10(13)11(15)14-6-4-5-9(14)7-12/h8-10H,3-6,13H2,1-2H3/t8-,9-,10-/m0/s1.
What are the key properties of (2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbonitrile?
(2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbonitrile has a molecular weight of 209.29 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 11469862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).