5-methyl-3-[(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)methyl]hexanoic acid

C15H26N2O4 — CID 80715313

IUPAC5-methyl-3-[(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)methyl]hexanoic acid
SMILESCC(C)CC(CNC(=O)NC1CC2CCC1O2)CC(=O)O
InChIInChI=1S/C15H26N2O4/c1-9(2)5-10(6-14(18)19)8-16-15(20)17-12-7-11-3-4-13(12)21-11/h9-13H,3-8H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyRAVPTQZTIXZAMH-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.74
Rot. Bonds7

About 5-methyl-3-[(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)methyl]hexanoic acid

5-methyl-3-[(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)methyl]hexanoic acid (PubChem CID 80715313) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 5-methyl-3-[(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)methyl]hexanoic acid.

Molecular Properties

Compound Name5-methyl-3-[(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)methyl]hexanoic acid
PubChem CID80715313
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name5-methyl-3-[(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)methyl]hexanoic acid
SMILESCC(C)CC(CNC(=O)NC1CC2CCC1O2)CC(=O)O
InChIInChI=1S/C15H26N2O4/c1-9(2)5-10(6-14(18)19)8-16-15(20)17-12-7-11-3-4-13(12)21-11/h9-13H,3-8H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyRAVPTQZTIXZAMH-UHFFFAOYSA-N
XLogP1.74
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-methyl-3-[(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)methyl]hexanoic acid with MolForge

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Related Compounds

3-methyl-4-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)butanoic acid
CID 81071061
(2S)-4-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)pentanoic acid
CID 80719419
1-(2-methyl-3-methylsulfanylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 84587193
3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)butanoic acid
CID 80721144
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
CID 98227718
3-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)pentanoic acid
CID 80720622
(2R)-4-amino-2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)-4-oxobutanoic acid
CID 107828479
2-methyl-N-[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide
CID 131020268
(3S)-5-methyl-3-[[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]methyl]hexanoic acid
CID 106258173
7-oxabicyclo[2.2.1]heptan-2-ylcarbamic acid
CID 67016834
1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-[(1-propylcyclopropyl)methyl]urea
CID 71919296
(2R)-4-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)butanoic acid
CID 107828477

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)methyl]hexanoic acid?
The IUPAC name of 5-methyl-3-[(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)methyl]hexanoic acid (CID 80715313) is 5-methyl-3-[(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)methyl]hexanoic acid.
What is the SMILES notation for 5-methyl-3-[(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)methyl]hexanoic acid?
The canonical SMILES for 5-methyl-3-[(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)methyl]hexanoic acid is CC(C)CC(CNC(=O)NC1CC2CCC1O2)CC(=O)O.
What is the InChIKey of 5-methyl-3-[(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)methyl]hexanoic acid?
The InChIKey is RAVPTQZTIXZAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-9(2)5-10(6-14(18)19)8-16-15(20)17-12-7-11-3-4-13(12)21-11/h9-13H,3-8H2,1-2H3,(H,18,19)(H2,16,17,20).
What are the key properties of 5-methyl-3-[(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)methyl]hexanoic acid?
5-methyl-3-[(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)methyl]hexanoic acid has a molecular weight of 298.38 g/mol, XLogP of 1.74, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)methyl]hexanoic acid is sourced from PubChem (CID 80715313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).