(2S)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrile

C17H25N3O2 — CID 6918537

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IUPAC(2S)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrile
SMILESN#C[C@@H]1CCCN1C(=O)CNC12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12?,13?,14-,16?,17?/m0/s1
InChIKeySYOKIDBDQMKNDQ-XWTIBIIYSA-N
MW303.41 g/mol
LogP1.17
Rot. Bonds3

About (2S)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrile

(2S)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrile (PubChem CID 6918537) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (2S)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2S)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrile
PubChem CID6918537
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(2S)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrile
SMILESN#C[C@@H]1CCCN1C(=O)CNC12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12?,13?,14-,16?,17?/m0/s1
InChIKeySYOKIDBDQMKNDQ-XWTIBIIYSA-N
XLogP1.17
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(-)-(2S)-1-(((3-Hydroxytricyclo(3.3.1.1(3,7))dec-1-yl)amino)acetyl)pyrrolidine-2-carbonitrile
CID 11077541
1-(2-((3-Hydroxyadamantan-1-yl)amino)acetyl)pyrrolidine-2-carbonitrile
CID 5251896
(2S,5R)-5-ethynyl-1-[N-(3-hydroxy-1-adamantyl)glycyl]pyrrolidine-2-carbonitrile
CID 23646142
(2S,5R)-1-[2-(3-hydroxy-adamantan-1-ylamino)-acetyl]-pyrrolidine-2,5-dicarbonitrile
CID 11616861
(2S,4S)-4-Fluoro-1-[N-(3-hydroxy-1-adamantyl)-glycyl]pyrrolidine-2-carbonitrile
CID 44560186
(2S,4S)-4-Fluoro-1-[N-(3-methoxy-1-adamantyl)-glycyl]pyrrolidine-2-carbonitrile
CID 44560187
(2S,4S)-4-fluoro-1-[2-[(5-hydroxy-2-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrile
CID 44560188
Acetic acid 3-[2-(2-cyano-pyrrolidin-1-yl)-2-oxo-ethylamino]-adamantan-1-yl ester
CID 10926029
Cyclohexyl-carbamic acid 3-[2-(2-cyano-pyrrolidin-1-yl)-2-oxo-ethylamino]-adamantan-1-yl ester
CID 10993665
Diisopropyl-carbamic acid 3-[2-(2-cyano-pyrrolidin-1-yl)-2-oxo-ethylamino]-adamantan-1-yl ester
CID 11015514
tert-Butyl-carbamic acid 3-[2-(2-cyano-pyrrolidin-1-yl)-2-oxo-ethylamino]-adamantan-1-yl ester
CID 11069462
2-[2-(3-Hydroxy-adamantan-1-ylamino)-acetyl]-3,4-dihydro-2H-pyrazole-3-carbonitrile
CID 44394020

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrile?
The IUPAC name of (2S)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrile (CID 6918537) is (2S)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrile.
What is the SMILES notation for (2S)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrile?
The canonical SMILES for (2S)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrile is N#C[C@@H]1CCCN1C(=O)CNC12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of (2S)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrile?
The InChIKey is SYOKIDBDQMKNDQ-XWTIBIIYSA-N. The full InChI is InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12?,13?,14-,16?,17?/m0/s1.
What are the key properties of (2S)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrile?
(2S)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrile has a molecular weight of 303.41 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 6918537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).