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

C11H20N2O4 — CID 76918629

IUPAC4-(2-amino-3,3-dimethylbutanoyl)morpholine-2-carboxylic acid
SMILESCC(C)(C)C(N)C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-11(2,3)8(12)9(14)13-4-5-17-7(6-13)10(15)16/h7-8H,4-6,12H2,1-3H3,(H,15,16)
InChIKeyTXLWOENLAHWTMM-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.33
Rot. Bonds2

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

4-(2-amino-3,3-dimethylbutanoyl)morpholine-2-carboxylic acid (PubChem CID 76918629) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-(2-amino-3,3-dimethylbutanoyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-amino-3,3-dimethylbutanoyl)morpholine-2-carboxylic acid
PubChem CID76918629
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name4-(2-amino-3,3-dimethylbutanoyl)morpholine-2-carboxylic acid
SMILESCC(C)(C)C(N)C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-11(2,3)8(12)9(14)13-4-5-17-7(6-13)10(15)16/h7-8H,4-6,12H2,1-3H3,(H,15,16)
InChIKeyTXLWOENLAHWTMM-UHFFFAOYSA-N
XLogP-0.33
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3,3-dimethylbutanoyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(2-amino-3,3-dimethylbutanoyl)morpholine-2-carboxylic acid (CID 76918629) is 4-(2-amino-3,3-dimethylbutanoyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(2-amino-3,3-dimethylbutanoyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(2-amino-3,3-dimethylbutanoyl)morpholine-2-carboxylic acid is CC(C)(C)C(N)C(=O)N1CCOC(C(=O)O)C1.
What is the InChIKey of 4-(2-amino-3,3-dimethylbutanoyl)morpholine-2-carboxylic acid?
The InChIKey is TXLWOENLAHWTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-11(2,3)8(12)9(14)13-4-5-17-7(6-13)10(15)16/h7-8H,4-6,12H2,1-3H3,(H,15,16).
What are the key properties of 4-(2-amino-3,3-dimethylbutanoyl)morpholine-2-carboxylic acid?
4-(2-amino-3,3-dimethylbutanoyl)morpholine-2-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of -0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3,3-dimethylbutanoyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 76918629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).