1-[(3,3-dimethylmorpholine-4-carbonyl)amino]cyclobutane-1-carboxylic acid

C12H20N2O4 — CID 81162950

IUPAC1-[(3,3-dimethylmorpholine-4-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESCC1(C)COCCN1C(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C12H20N2O4/c1-11(2)8-18-7-6-14(11)10(17)13-12(9(15)16)4-3-5-12/h3-8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyVMPNJXGQAUTYLI-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.81
Rot. Bonds2

About 1-[(3,3-dimethylmorpholine-4-carbonyl)amino]cyclobutane-1-carboxylic acid

1-[(3,3-dimethylmorpholine-4-carbonyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 81162950) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-[(3,3-dimethylmorpholine-4-carbonyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3,3-dimethylmorpholine-4-carbonyl)amino]cyclobutane-1-carboxylic acid
PubChem CID81162950
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1-[(3,3-dimethylmorpholine-4-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESCC1(C)COCCN1C(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C12H20N2O4/c1-11(2)8-18-7-6-14(11)10(17)13-12(9(15)16)4-3-5-12/h3-8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyVMPNJXGQAUTYLI-UHFFFAOYSA-N
XLogP0.81
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-dimethylmorpholine-4-carbonyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(3,3-dimethylmorpholine-4-carbonyl)amino]cyclobutane-1-carboxylic acid (CID 81162950) is 1-[(3,3-dimethylmorpholine-4-carbonyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(3,3-dimethylmorpholine-4-carbonyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(3,3-dimethylmorpholine-4-carbonyl)amino]cyclobutane-1-carboxylic acid is CC1(C)COCCN1C(=O)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-[(3,3-dimethylmorpholine-4-carbonyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is VMPNJXGQAUTYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-11(2)8-18-7-6-14(11)10(17)13-12(9(15)16)4-3-5-12/h3-8H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 1-[(3,3-dimethylmorpholine-4-carbonyl)amino]cyclobutane-1-carboxylic acid?
1-[(3,3-dimethylmorpholine-4-carbonyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-dimethylmorpholine-4-carbonyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81162950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).