4-(3-amino-2,2,3-trimethylbutanoyl)morpholine-2-carboxylic acid

C12H22N2O4 — CID 65269935

IUPAC4-(3-amino-2,2,3-trimethylbutanoyl)morpholine-2-carboxylic acid
SMILESCC(C)(N)C(C)(C)C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C12H22N2O4/c1-11(2,12(3,4)13)10(17)14-5-6-18-8(7-14)9(15)16/h8H,5-7,13H2,1-4H3,(H,15,16)
InChIKeyXLULEGRQSKQODG-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.06
Rot. Bonds3

About 4-(3-amino-2,2,3-trimethylbutanoyl)morpholine-2-carboxylic acid

4-(3-amino-2,2,3-trimethylbutanoyl)morpholine-2-carboxylic acid (PubChem CID 65269935) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-(3-amino-2,2,3-trimethylbutanoyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-amino-2,2,3-trimethylbutanoyl)morpholine-2-carboxylic acid
PubChem CID65269935
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name4-(3-amino-2,2,3-trimethylbutanoyl)morpholine-2-carboxylic acid
SMILESCC(C)(N)C(C)(C)C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C12H22N2O4/c1-11(2,12(3,4)13)10(17)14-5-6-18-8(7-14)9(15)16/h8H,5-7,13H2,1-4H3,(H,15,16)
InChIKeyXLULEGRQSKQODG-UHFFFAOYSA-N
XLogP0.06
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-2,2,3-trimethylbutanoyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(3-amino-2,2,3-trimethylbutanoyl)morpholine-2-carboxylic acid (CID 65269935) is 4-(3-amino-2,2,3-trimethylbutanoyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(3-amino-2,2,3-trimethylbutanoyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(3-amino-2,2,3-trimethylbutanoyl)morpholine-2-carboxylic acid is CC(C)(N)C(C)(C)C(=O)N1CCOC(C(=O)O)C1.
What is the InChIKey of 4-(3-amino-2,2,3-trimethylbutanoyl)morpholine-2-carboxylic acid?
The InChIKey is XLULEGRQSKQODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-11(2,12(3,4)13)10(17)14-5-6-18-8(7-14)9(15)16/h8H,5-7,13H2,1-4H3,(H,15,16).
What are the key properties of 4-(3-amino-2,2,3-trimethylbutanoyl)morpholine-2-carboxylic acid?
4-(3-amino-2,2,3-trimethylbutanoyl)morpholine-2-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-2,2,3-trimethylbutanoyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 65269935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).