2-(cyclohexylmethyl)-4-morpholin-4-yl-3-oxobutanoic acid

C15H25NO4 — CID 18768987

IUPAC2-(cyclohexylmethyl)-4-morpholin-4-yl-3-oxobutanoic acid
SMILESO=C(O)C(CC1CCCCC1)C(=O)CN1CCOCC1
InChIInChI=1S/C15H25NO4/c17-14(11-16-6-8-20-9-7-16)13(15(18)19)10-12-4-2-1-3-5-12/h12-13H,1-11H2,(H,18,19)
InChIKeyOZRROEYZIVDQRR-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.56
Rot. Bonds6

About 2-(cyclohexylmethyl)-4-morpholin-4-yl-3-oxobutanoic acid

2-(cyclohexylmethyl)-4-morpholin-4-yl-3-oxobutanoic acid (PubChem CID 18768987) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-4-morpholin-4-yl-3-oxobutanoic acid.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-4-morpholin-4-yl-3-oxobutanoic acid
PubChem CID18768987
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name2-(cyclohexylmethyl)-4-morpholin-4-yl-3-oxobutanoic acid
SMILESO=C(O)C(CC1CCCCC1)C(=O)CN1CCOCC1
InChIInChI=1S/C15H25NO4/c17-14(11-16-6-8-20-9-7-16)13(15(18)19)10-12-4-2-1-3-5-12/h12-13H,1-11H2,(H,18,19)
InChIKeyOZRROEYZIVDQRR-UHFFFAOYSA-N
XLogP1.56
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-4-morpholin-4-yl-3-oxobutanoic acid?
The IUPAC name of 2-(cyclohexylmethyl)-4-morpholin-4-yl-3-oxobutanoic acid (CID 18768987) is 2-(cyclohexylmethyl)-4-morpholin-4-yl-3-oxobutanoic acid.
What is the SMILES notation for 2-(cyclohexylmethyl)-4-morpholin-4-yl-3-oxobutanoic acid?
The canonical SMILES for 2-(cyclohexylmethyl)-4-morpholin-4-yl-3-oxobutanoic acid is O=C(O)C(CC1CCCCC1)C(=O)CN1CCOCC1.
What is the InChIKey of 2-(cyclohexylmethyl)-4-morpholin-4-yl-3-oxobutanoic acid?
The InChIKey is OZRROEYZIVDQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c17-14(11-16-6-8-20-9-7-16)13(15(18)19)10-12-4-2-1-3-5-12/h12-13H,1-11H2,(H,18,19).
What are the key properties of 2-(cyclohexylmethyl)-4-morpholin-4-yl-3-oxobutanoic acid?
2-(cyclohexylmethyl)-4-morpholin-4-yl-3-oxobutanoic acid has a molecular weight of 283.37 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-4-morpholin-4-yl-3-oxobutanoic acid is sourced from PubChem (CID 18768987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).