4-(4-aminocyclohexyl)oxy-4-oxobutanoic acid

C10H17NO4 — CID 70322614

IUPAC4-(4-aminocyclohexyl)oxy-4-oxobutanoic acid
SMILESNC1CCC(OC(=O)CCC(=O)O)CC1
InChIInChI=1S/C10H17NO4/c11-7-1-3-8(4-2-7)15-10(14)6-5-9(12)13/h7-8H,1-6,11H2,(H,12,13)
InChIKeyODWLRKBFIZHLIB-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.66
Rot. Bonds4

About 4-(4-aminocyclohexyl)oxy-4-oxobutanoic acid

4-(4-aminocyclohexyl)oxy-4-oxobutanoic acid (PubChem CID 70322614) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 4-(4-aminocyclohexyl)oxy-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(4-aminocyclohexyl)oxy-4-oxobutanoic acid
PubChem CID70322614
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name4-(4-aminocyclohexyl)oxy-4-oxobutanoic acid
SMILESNC1CCC(OC(=O)CCC(=O)O)CC1
InChIInChI=1S/C10H17NO4/c11-7-1-3-8(4-2-7)15-10(14)6-5-9(12)13/h7-8H,1-6,11H2,(H,12,13)
InChIKeyODWLRKBFIZHLIB-UHFFFAOYSA-N
XLogP0.66
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminocyclohexyl)oxy-4-oxobutanoic acid?
The IUPAC name of 4-(4-aminocyclohexyl)oxy-4-oxobutanoic acid (CID 70322614) is 4-(4-aminocyclohexyl)oxy-4-oxobutanoic acid.
What is the SMILES notation for 4-(4-aminocyclohexyl)oxy-4-oxobutanoic acid?
The canonical SMILES for 4-(4-aminocyclohexyl)oxy-4-oxobutanoic acid is NC1CCC(OC(=O)CCC(=O)O)CC1.
What is the InChIKey of 4-(4-aminocyclohexyl)oxy-4-oxobutanoic acid?
The InChIKey is ODWLRKBFIZHLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c11-7-1-3-8(4-2-7)15-10(14)6-5-9(12)13/h7-8H,1-6,11H2,(H,12,13).
What are the key properties of 4-(4-aminocyclohexyl)oxy-4-oxobutanoic acid?
4-(4-aminocyclohexyl)oxy-4-oxobutanoic acid has a molecular weight of 215.25 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminocyclohexyl)oxy-4-oxobutanoic acid is sourced from PubChem (CID 70322614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).