(2S,5R)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile

C18H24N4O2 — CID 11616861

IUPAC(2S,5R)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile
SMILESN#C[C@@H]1CC[C@H](C#N)N1C(=O)CNC12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C18H24N4O2/c19-8-14-1-2-15(9-20)22(14)16(23)10-21-17-4-12-3-13(5-17)7-18(24,6-12)11-17/h12-15,21,24H,1-7,10-11H2/t12?,13?,14-,15+,17?,18?
InChIKeyLNZXFOJVAULXCD-VFWKQFFXSA-N
MW328.42 g/mol
LogP1.07
Rot. Bonds3

About (2S,5R)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile

(2S,5R)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile (PubChem CID 11616861) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (2S,5R)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile.

Molecular Properties

Compound Name(2S,5R)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile
PubChem CID11616861
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(2S,5R)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile
SMILESN#C[C@@H]1CC[C@H](C#N)N1C(=O)CNC12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C18H24N4O2/c19-8-14-1-2-15(9-20)22(14)16(23)10-21-17-4-12-3-13(5-17)7-18(24,6-12)11-17/h12-15,21,24H,1-7,10-11H2/t12?,13?,14-,15+,17?,18?
InChIKeyLNZXFOJVAULXCD-VFWKQFFXSA-N
XLogP1.07
TPSA100.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,5R)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile 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,5R)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile?
The IUPAC name of (2S,5R)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile (CID 11616861) is (2S,5R)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile.
What is the SMILES notation for (2S,5R)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile?
The canonical SMILES for (2S,5R)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile is N#C[C@@H]1CC[C@H](C#N)N1C(=O)CNC12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of (2S,5R)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile?
The InChIKey is LNZXFOJVAULXCD-VFWKQFFXSA-N. The full InChI is InChI=1S/C18H24N4O2/c19-8-14-1-2-15(9-20)22(14)16(23)10-21-17-4-12-3-13(5-17)7-18(24,6-12)11-17/h12-15,21,24H,1-7,10-11H2/t12?,13?,14-,15+,17?,18?.
What are the key properties of (2S,5R)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile?
(2S,5R)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile has a molecular weight of 328.42 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2,5-dicarbonitrile is sourced from PubChem (CID 11616861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).