(2S)-1-[2-(cyclobutylamino)acetyl]pyrrolidine-2-carbonitrile

C11H17N3O — CID 10375745

IUPAC(2S)-1-[2-(cyclobutylamino)acetyl]pyrrolidine-2-carbonitrile
SMILESN#C[C@@H]1CCCN1C(=O)CNC1CCC1
InChIInChI=1S/C11H17N3O/c12-7-10-5-2-6-14(10)11(15)8-13-9-3-1-4-9/h9-10,13H,1-6,8H2/t10-/m0/s1
InChIKeyQKSLTXRZWPFUBO-JTQLQIEISA-N
MW207.28 g/mol
LogP0.64
Rot. Bonds3

About (2S)-1-[2-(cyclobutylamino)acetyl]pyrrolidine-2-carbonitrile

(2S)-1-[2-(cyclobutylamino)acetyl]pyrrolidine-2-carbonitrile (PubChem CID 10375745) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (2S)-1-[2-(cyclobutylamino)acetyl]pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2S)-1-[2-(cyclobutylamino)acetyl]pyrrolidine-2-carbonitrile
PubChem CID10375745
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(2S)-1-[2-(cyclobutylamino)acetyl]pyrrolidine-2-carbonitrile
SMILESN#C[C@@H]1CCCN1C(=O)CNC1CCC1
InChIInChI=1S/C11H17N3O/c12-7-10-5-2-6-14(10)11(15)8-13-9-3-1-4-9/h9-10,13H,1-6,8H2/t10-/m0/s1
InChIKeyQKSLTXRZWPFUBO-JTQLQIEISA-N
XLogP0.64
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(cyclobutylamino)acetyl]pyrrolidine-2-carbonitrile?
The IUPAC name of (2S)-1-[2-(cyclobutylamino)acetyl]pyrrolidine-2-carbonitrile (CID 10375745) is (2S)-1-[2-(cyclobutylamino)acetyl]pyrrolidine-2-carbonitrile.
What is the SMILES notation for (2S)-1-[2-(cyclobutylamino)acetyl]pyrrolidine-2-carbonitrile?
The canonical SMILES for (2S)-1-[2-(cyclobutylamino)acetyl]pyrrolidine-2-carbonitrile is N#C[C@@H]1CCCN1C(=O)CNC1CCC1.
What is the InChIKey of (2S)-1-[2-(cyclobutylamino)acetyl]pyrrolidine-2-carbonitrile?
The InChIKey is QKSLTXRZWPFUBO-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17N3O/c12-7-10-5-2-6-14(10)11(15)8-13-9-3-1-4-9/h9-10,13H,1-6,8H2/t10-/m0/s1.
What are the key properties of (2S)-1-[2-(cyclobutylamino)acetyl]pyrrolidine-2-carbonitrile?
(2S)-1-[2-(cyclobutylamino)acetyl]pyrrolidine-2-carbonitrile has a molecular weight of 207.28 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(cyclobutylamino)acetyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 10375745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).