(2S)-N-cyclooctyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide

C14H26N2O2 — CID 111427691

IUPAC(2S)-N-cyclooctyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESO=C(NC1CCCCCCC1)N1CCC[C@H]1CO
InChIInChI=1S/C14H26N2O2/c17-11-13-9-6-10-16(13)14(18)15-12-7-4-2-1-3-5-8-12/h12-13,17H,1-11H2,(H,15,18)/t13-/m0/s1
InChIKeyCYWVGVJZKOEWCW-ZDUSSCGKSA-N
MW254.37 g/mol
LogP2.27
Rot. Bonds2

About (2S)-N-cyclooctyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide

(2S)-N-cyclooctyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 111427691) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (2S)-N-cyclooctyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclooctyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID111427691
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(2S)-N-cyclooctyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESO=C(NC1CCCCCCC1)N1CCC[C@H]1CO
InChIInChI=1S/C14H26N2O2/c17-11-13-9-6-10-16(13)14(18)15-12-7-4-2-1-3-5-8-12/h12-13,17H,1-11H2,(H,15,18)/t13-/m0/s1
InChIKeyCYWVGVJZKOEWCW-ZDUSSCGKSA-N
XLogP2.27
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 75457868
cis-(1R,3S)-3-[[2-(hydroxymethyl)azepane-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 106320170
N-cyclohexyl-2-ethylazepane-1-carboxamide
CID 113240213
N-cyclopentyl-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 78942638
(2R)-N-cyclohexyl-2-ethylpiperidine-1-carboxamide
CID 896060
N-cyclohexyl-2-ethylpiperidine-1-carboxamide
CID 2930684
N-cyclopentyl-2-(methylaminomethyl)pyrrolidine-1-carboxamide
CID 115316412
(2S)-2-(cyclohexylmethyl)-N-cyclopropylpyrrolidine-1-carboxamide
CID 94744585
N-cyclopentyl-2-ethylpiperidine-1-carboxamide
CID 17174323
2-(hydroxymethyl)-N-(3-methylsulfanylcyclohexyl)pyrrolidine-1-carboxamide
CID 111428374
N-cyclohexyl-2-(2-hydroxypropyl)azepane-1-carboxamide
CID 79560608
2-(aminomethyl)-N-cyclopropylpiperidine-1-carboxamide
CID 62699493

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclooctyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-cyclooctyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 111427691) is (2S)-N-cyclooctyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-cyclooctyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-cyclooctyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide is O=C(NC1CCCCCCC1)N1CCC[C@H]1CO.
What is the InChIKey of (2S)-N-cyclooctyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is CYWVGVJZKOEWCW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H26N2O2/c17-11-13-9-6-10-16(13)14(18)15-12-7-4-2-1-3-5-8-12/h12-13,17H,1-11H2,(H,15,18)/t13-/m0/s1.
What are the key properties of (2S)-N-cyclooctyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
(2S)-N-cyclooctyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclooctyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 111427691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).