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

C15H25N3O — CID 10879937

IUPAC(2S)-1-[2-(cyclooctylamino)acetyl]pyrrolidine-2-carbonitrile
SMILESN#C[C@@H]1CCCN1C(=O)CNC1CCCCCCC1
InChIInChI=1S/C15H25N3O/c16-11-14-9-6-10-18(14)15(19)12-17-13-7-4-2-1-3-5-8-13/h13-14,17H,1-10,12H2/t14-/m0/s1
InChIKeyMZMNEBTVUNZBRR-AWEZNQCLSA-N
MW263.38 g/mol
LogP2.20
Rot. Bonds3

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

(2S)-1-[2-(cyclooctylamino)acetyl]pyrrolidine-2-carbonitrile (PubChem CID 10879937) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is (2S)-1-[2-(cyclooctylamino)acetyl]pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2S)-1-[2-(cyclooctylamino)acetyl]pyrrolidine-2-carbonitrile
PubChem CID10879937
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name(2S)-1-[2-(cyclooctylamino)acetyl]pyrrolidine-2-carbonitrile
SMILESN#C[C@@H]1CCCN1C(=O)CNC1CCCCCCC1
InChIInChI=1S/C15H25N3O/c16-11-14-9-6-10-18(14)15(19)12-17-13-7-4-2-1-3-5-8-13/h13-14,17H,1-10,12H2/t14-/m0/s1
InChIKeyMZMNEBTVUNZBRR-AWEZNQCLSA-N
XLogP2.20
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(cyclooctylamino)acetyl]pyrrolidine-2-carbonitrile?
The IUPAC name of (2S)-1-[2-(cyclooctylamino)acetyl]pyrrolidine-2-carbonitrile (CID 10879937) is (2S)-1-[2-(cyclooctylamino)acetyl]pyrrolidine-2-carbonitrile.
What is the SMILES notation for (2S)-1-[2-(cyclooctylamino)acetyl]pyrrolidine-2-carbonitrile?
The canonical SMILES for (2S)-1-[2-(cyclooctylamino)acetyl]pyrrolidine-2-carbonitrile is N#C[C@@H]1CCCN1C(=O)CNC1CCCCCCC1.
What is the InChIKey of (2S)-1-[2-(cyclooctylamino)acetyl]pyrrolidine-2-carbonitrile?
The InChIKey is MZMNEBTVUNZBRR-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H25N3O/c16-11-14-9-6-10-18(14)15(19)12-17-13-7-4-2-1-3-5-8-13/h13-14,17H,1-10,12H2/t14-/m0/s1.
What are the key properties of (2S)-1-[2-(cyclooctylamino)acetyl]pyrrolidine-2-carbonitrile?
(2S)-1-[2-(cyclooctylamino)acetyl]pyrrolidine-2-carbonitrile has a molecular weight of 263.38 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(cyclooctylamino)acetyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 10879937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).