3-(4-methoxypentanoylamino)bicyclo[2.2.1]heptane-2-carboxylic acid

C14H23NO4 — CID 113382120

IUPAC3-(4-methoxypentanoylamino)bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCOC(C)CCC(=O)NC1C2CCC(C2)C1C(=O)O
InChIInChI=1S/C14H23NO4/c1-8(19-2)3-6-11(16)15-13-10-5-4-9(7-10)12(13)14(17)18/h8-10,12-13H,3-7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyLYFKXKNEJKSBLB-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.42
Rot. Bonds6

About 3-(4-methoxypentanoylamino)bicyclo[2.2.1]heptane-2-carboxylic acid

3-(4-methoxypentanoylamino)bicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 113382120) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-(4-methoxypentanoylamino)bicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name3-(4-methoxypentanoylamino)bicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID113382120
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name3-(4-methoxypentanoylamino)bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCOC(C)CCC(=O)NC1C2CCC(C2)C1C(=O)O
InChIInChI=1S/C14H23NO4/c1-8(19-2)3-6-11(16)15-13-10-5-4-9(7-10)12(13)14(17)18/h8-10,12-13H,3-7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyLYFKXKNEJKSBLB-UHFFFAOYSA-N
XLogP1.42
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxypentanoylamino)bicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 3-(4-methoxypentanoylamino)bicyclo[2.2.1]heptane-2-carboxylic acid (CID 113382120) is 3-(4-methoxypentanoylamino)bicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 3-(4-methoxypentanoylamino)bicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 3-(4-methoxypentanoylamino)bicyclo[2.2.1]heptane-2-carboxylic acid is COC(C)CCC(=O)NC1C2CCC(C2)C1C(=O)O.
What is the InChIKey of 3-(4-methoxypentanoylamino)bicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is LYFKXKNEJKSBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-8(19-2)3-6-11(16)15-13-10-5-4-9(7-10)12(13)14(17)18/h8-10,12-13H,3-7H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 3-(4-methoxypentanoylamino)bicyclo[2.2.1]heptane-2-carboxylic acid?
3-(4-methoxypentanoylamino)bicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxypentanoylamino)bicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 113382120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).