N-(5-hydroxy-2-adamantyl)-1-(hydroxymethyl)pyrrolidine-2-carboxamide

C16H26N2O3 — CID 141360426

IUPACN-(5-hydroxy-2-adamantyl)-1-(hydroxymethyl)pyrrolidine-2-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)C1CCCN1CO
InChIInChI=1S/C16H26N2O3/c19-9-18-3-1-2-13(18)15(20)17-14-11-4-10-5-12(14)8-16(21,6-10)7-11/h10-14,19,21H,1-9H2,(H,17,20)
InChIKeyXOQIJDMKFGIEMW-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.46
Rot. Bonds3

About N-(5-hydroxy-2-adamantyl)-1-(hydroxymethyl)pyrrolidine-2-carboxamide

N-(5-hydroxy-2-adamantyl)-1-(hydroxymethyl)pyrrolidine-2-carboxamide (PubChem CID 141360426) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-(5-hydroxy-2-adamantyl)-1-(hydroxymethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-2-adamantyl)-1-(hydroxymethyl)pyrrolidine-2-carboxamide
PubChem CID141360426
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC NameN-(5-hydroxy-2-adamantyl)-1-(hydroxymethyl)pyrrolidine-2-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)C1CCCN1CO
InChIInChI=1S/C16H26N2O3/c19-9-18-3-1-2-13(18)15(20)17-14-11-4-10-5-12(14)8-16(21,6-10)7-11/h10-14,19,21H,1-9H2,(H,17,20)
InChIKeyXOQIJDMKFGIEMW-UHFFFAOYSA-N
XLogP0.46
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)sulfonyl-N-[(1S,3R)-5-hydroxy-2-adamantyl]pyrrolidine-2-carboxamide
CID 16730452
(2R)-N-(2-adamantyl)-1-[(2S)-2-hydroxypropyl]pyrrolidine-2-carboxamide
CID 11645196
(2R)-1-(3-chloro-2-methylphenyl)sulfonyl-N-(5-hydroxy-2-adamantyl)piperidine-2-carboxamide
CID 90643789
4-(4-fluorophenyl)sulfonyl-N-[(1S,3R)-5-hydroxy-2-adamantyl]morpholine-3-carboxamide
CID 16730453
N-(5-hydroxy-2-adamantyl)-1-pyridin-2-ylsulfonylpiperidine-4-carboxamide
CID 24955047
3-(3,4-dichlorophenyl)sulfonyl-N-(5-hydroxy-2-adamantyl)-1,3-thiazolidine-2-carboxamide
CID 53317318
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(5-hydroxy-2-adamantyl)acetamide
CID 142675489
N-(5-hydroxy-2-adamantyl)-1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxamide
CID 24954685
1,2-bis(5-hydroxy-2-adamantyl)guanidine
CID 18751866
N-[(1R,3S)-5-hydroxy-2-adamantyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 59658107
benzyl N-[[(2R)-1-[(5-hydroxy-2-adamantyl)carbamoyl]pyrrolidin-2-yl]methyl]carbamate
CID 25183192
(2S)-N-cyclopropyl-1-ethylpyrrolidine-2-carboxamide
CID 89087707

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2-adamantyl)-1-(hydroxymethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(5-hydroxy-2-adamantyl)-1-(hydroxymethyl)pyrrolidine-2-carboxamide (CID 141360426) is N-(5-hydroxy-2-adamantyl)-1-(hydroxymethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(5-hydroxy-2-adamantyl)-1-(hydroxymethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(5-hydroxy-2-adamantyl)-1-(hydroxymethyl)pyrrolidine-2-carboxamide is O=C(NC1C2CC3CC1CC(O)(C3)C2)C1CCCN1CO.
What is the InChIKey of N-(5-hydroxy-2-adamantyl)-1-(hydroxymethyl)pyrrolidine-2-carboxamide?
The InChIKey is XOQIJDMKFGIEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c19-9-18-3-1-2-13(18)15(20)17-14-11-4-10-5-12(14)8-16(21,6-10)7-11/h10-14,19,21H,1-9H2,(H,17,20).
What are the key properties of N-(5-hydroxy-2-adamantyl)-1-(hydroxymethyl)pyrrolidine-2-carboxamide?
N-(5-hydroxy-2-adamantyl)-1-(hydroxymethyl)pyrrolidine-2-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2-adamantyl)-1-(hydroxymethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 141360426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).