(2S)-1-[2-(3-tricyclo[3.3.1.03,7]nonanylamino)acetyl]pyrrolidine-2-carbonitrile

C16H23N3O — CID 24853327

IUPAC(2S)-1-[2-(3-tricyclo[3.3.1.03,7]nonanylamino)acetyl]pyrrolidine-2-carbonitrile
SMILESN#C[C@@H]1CCCN1C(=O)CNC12CC3CC(CC1C3)C2
InChIInChI=1S/C16H23N3O/c17-9-14-2-1-3-19(14)15(20)10-18-16-7-11-4-12(8-16)6-13(16)5-11/h11-14,18H,1-8,10H2/t11?,12?,13?,14-,16?/m0/s1
InChIKeyGPMFQWLUOHWYGH-IXUJDMMCSA-N
MW273.38 g/mol
LogP1.67
Rot. Bonds3

About (2S)-1-[2-(3-tricyclo[3.3.1.03,7]nonanylamino)acetyl]pyrrolidine-2-carbonitrile

(2S)-1-[2-(3-tricyclo[3.3.1.03,7]nonanylamino)acetyl]pyrrolidine-2-carbonitrile (PubChem CID 24853327) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is (2S)-1-[2-(3-tricyclo[3.3.1.03,7]nonanylamino)acetyl]pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2S)-1-[2-(3-tricyclo[3.3.1.03,7]nonanylamino)acetyl]pyrrolidine-2-carbonitrile
PubChem CID24853327
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name(2S)-1-[2-(3-tricyclo[3.3.1.03,7]nonanylamino)acetyl]pyrrolidine-2-carbonitrile
SMILESN#C[C@@H]1CCCN1C(=O)CNC12CC3CC(CC1C3)C2
InChIInChI=1S/C16H23N3O/c17-9-14-2-1-3-19(14)15(20)10-18-16-7-11-4-12(8-16)6-13(16)5-11/h11-14,18H,1-8,10H2/t11?,12?,13?,14-,16?/m0/s1
InChIKeyGPMFQWLUOHWYGH-IXUJDMMCSA-N
XLogP1.67
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(3-tricyclo[3.3.1.03,7]nonanylamino)acetyl]pyrrolidine-2-carbonitrile?
The IUPAC name of (2S)-1-[2-(3-tricyclo[3.3.1.03,7]nonanylamino)acetyl]pyrrolidine-2-carbonitrile (CID 24853327) is (2S)-1-[2-(3-tricyclo[3.3.1.03,7]nonanylamino)acetyl]pyrrolidine-2-carbonitrile.
What is the SMILES notation for (2S)-1-[2-(3-tricyclo[3.3.1.03,7]nonanylamino)acetyl]pyrrolidine-2-carbonitrile?
The canonical SMILES for (2S)-1-[2-(3-tricyclo[3.3.1.03,7]nonanylamino)acetyl]pyrrolidine-2-carbonitrile is N#C[C@@H]1CCCN1C(=O)CNC12CC3CC(CC1C3)C2.
What is the InChIKey of (2S)-1-[2-(3-tricyclo[3.3.1.03,7]nonanylamino)acetyl]pyrrolidine-2-carbonitrile?
The InChIKey is GPMFQWLUOHWYGH-IXUJDMMCSA-N. The full InChI is InChI=1S/C16H23N3O/c17-9-14-2-1-3-19(14)15(20)10-18-16-7-11-4-12(8-16)6-13(16)5-11/h11-14,18H,1-8,10H2/t11?,12?,13?,14-,16?/m0/s1.
What are the key properties of (2S)-1-[2-(3-tricyclo[3.3.1.03,7]nonanylamino)acetyl]pyrrolidine-2-carbonitrile?
(2S)-1-[2-(3-tricyclo[3.3.1.03,7]nonanylamino)acetyl]pyrrolidine-2-carbonitrile has a molecular weight of 273.38 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(3-tricyclo[3.3.1.03,7]nonanylamino)acetyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 24853327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).