N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide

C14H24N2O3 — CID 111459187

IUPACN-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCC1(C)C(NC(=O)N2CCC(CO)C2)C2CCOC21
InChIInChI=1S/C14H24N2O3/c1-14(2)11(10-4-6-19-12(10)14)15-13(18)16-5-3-9(7-16)8-17/h9-12,17H,3-8H2,1-2H3,(H,15,18)
InChIKeyJTLQZZLKLFEEKE-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.82
Rot. Bonds2

About N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide

N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 111459187) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID111459187
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC NameN-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCC1(C)C(NC(=O)N2CCC(CO)C2)C2CCOC21
InChIInChI=1S/C14H24N2O3/c1-14(2)11(10-4-6-19-12(10)14)15-13(18)16-5-3-9(7-16)8-17/h9-12,17H,3-8H2,1-2H3,(H,15,18)
InChIKeyJTLQZZLKLFEEKE-UHFFFAOYSA-N
XLogP0.82
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(hydroxymethyl)-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylpiperidine-1-carboxamide
CID 109398940
tert-butyl 3-[[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 104538167
1-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]urea
CID 100898581
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N'-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide
CID 119162466
N-(2,2-dimethylcyclopentyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111841157
4-N-(5-chloro-2-pyridinyl)-1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)piperidine-1,4-dicarboxamide
CID 91643302
1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 111631148
3-amino-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide
CID 100643144
1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111506932
N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-N'-ethyl-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboximidamide
CID 119162692
(3R)-3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]butan-1-ol
CID 103921775
(2R,4R)-2-cyclohexyl-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-4-hydroxypyrrolidine-1-carboxamide
CID 99775456

Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 111459187) is N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide is CC1(C)C(NC(=O)N2CCC(CO)C2)C2CCOC21.
What is the InChIKey of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is JTLQZZLKLFEEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-14(2)11(10-4-6-19-12(10)14)15-13(18)16-5-3-9(7-16)8-17/h9-12,17H,3-8H2,1-2H3,(H,15,18).
What are the key properties of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 111459187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).