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

C12H19N3O — CID 11117606

IUPAC(2S)-1-[2-(cyclopentylamino)acetyl]pyrrolidine-2-carbonitrile
SMILESN#C[C@@H]1CCCN1C(=O)CNC1CCCC1
InChIInChI=1S/C12H19N3O/c13-8-11-6-3-7-15(11)12(16)9-14-10-4-1-2-5-10/h10-11,14H,1-7,9H2/t11-/m0/s1
InChIKeyQQNHTINEHANVJY-NSHDSACASA-N
MW221.30 g/mol
LogP1.03
Rot. Bonds3

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

(2S)-1-[2-(cyclopentylamino)acetyl]pyrrolidine-2-carbonitrile (PubChem CID 11117606) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (2S)-1-[2-(cyclopentylamino)acetyl]pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2S)-1-[2-(cyclopentylamino)acetyl]pyrrolidine-2-carbonitrile
PubChem CID11117606
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(2S)-1-[2-(cyclopentylamino)acetyl]pyrrolidine-2-carbonitrile
SMILESN#C[C@@H]1CCCN1C(=O)CNC1CCCC1
InChIInChI=1S/C12H19N3O/c13-8-11-6-3-7-15(11)12(16)9-14-10-4-1-2-5-10/h10-11,14H,1-7,9H2/t11-/m0/s1
InChIKeyQQNHTINEHANVJY-NSHDSACASA-N
XLogP1.03
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(cyclopentylamino)acetyl]pyrrolidine-2-carbonitrile?
The IUPAC name of (2S)-1-[2-(cyclopentylamino)acetyl]pyrrolidine-2-carbonitrile (CID 11117606) is (2S)-1-[2-(cyclopentylamino)acetyl]pyrrolidine-2-carbonitrile.
What is the SMILES notation for (2S)-1-[2-(cyclopentylamino)acetyl]pyrrolidine-2-carbonitrile?
The canonical SMILES for (2S)-1-[2-(cyclopentylamino)acetyl]pyrrolidine-2-carbonitrile is N#C[C@@H]1CCCN1C(=O)CNC1CCCC1.
What is the InChIKey of (2S)-1-[2-(cyclopentylamino)acetyl]pyrrolidine-2-carbonitrile?
The InChIKey is QQNHTINEHANVJY-NSHDSACASA-N. The full InChI is InChI=1S/C12H19N3O/c13-8-11-6-3-7-15(11)12(16)9-14-10-4-1-2-5-10/h10-11,14H,1-7,9H2/t11-/m0/s1.
What are the key properties of (2S)-1-[2-(cyclopentylamino)acetyl]pyrrolidine-2-carbonitrile?
(2S)-1-[2-(cyclopentylamino)acetyl]pyrrolidine-2-carbonitrile has a molecular weight of 221.30 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(cyclopentylamino)acetyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 11117606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).