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

C9H15N3O — CID 11084500

IUPAC(2S)-1-[2-(ethylamino)acetyl]pyrrolidine-2-carbonitrile
SMILESCCNCC(=O)N1CCC[C@H]1C#N
InChIInChI=1S/C9H15N3O/c1-2-11-7-9(13)12-5-3-4-8(12)6-10/h8,11H,2-5,7H2,1H3/t8-/m0/s1
InChIKeyBLKTWYUKESHQDJ-QMMMGPOBSA-N
MW181.24 g/mol
LogP0.11
Rot. Bonds3

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

(2S)-1-[2-(ethylamino)acetyl]pyrrolidine-2-carbonitrile (PubChem CID 11084500) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is (2S)-1-[2-(ethylamino)acetyl]pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2S)-1-[2-(ethylamino)acetyl]pyrrolidine-2-carbonitrile
PubChem CID11084500
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name(2S)-1-[2-(ethylamino)acetyl]pyrrolidine-2-carbonitrile
SMILESCCNCC(=O)N1CCC[C@H]1C#N
InChIInChI=1S/C9H15N3O/c1-2-11-7-9(13)12-5-3-4-8(12)6-10/h8,11H,2-5,7H2,1H3/t8-/m0/s1
InChIKeyBLKTWYUKESHQDJ-QMMMGPOBSA-N
XLogP0.11
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[2-(ethylamino)acetyl]pyrrolidine-2-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(ethylamino)acetyl]pyrrolidine-2-carbonitrile?
The IUPAC name of (2S)-1-[2-(ethylamino)acetyl]pyrrolidine-2-carbonitrile (CID 11084500) is (2S)-1-[2-(ethylamino)acetyl]pyrrolidine-2-carbonitrile.
What is the SMILES notation for (2S)-1-[2-(ethylamino)acetyl]pyrrolidine-2-carbonitrile?
The canonical SMILES for (2S)-1-[2-(ethylamino)acetyl]pyrrolidine-2-carbonitrile is CCNCC(=O)N1CCC[C@H]1C#N.
What is the InChIKey of (2S)-1-[2-(ethylamino)acetyl]pyrrolidine-2-carbonitrile?
The InChIKey is BLKTWYUKESHQDJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-11-7-9(13)12-5-3-4-8(12)6-10/h8,11H,2-5,7H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-1-[2-(ethylamino)acetyl]pyrrolidine-2-carbonitrile?
(2S)-1-[2-(ethylamino)acetyl]pyrrolidine-2-carbonitrile has a molecular weight of 181.24 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(ethylamino)acetyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 11084500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).