3-methyl-2-(morpholine-4-carbonylamino)butanoic acid

C10H18N2O4 — CID 5239398

IUPAC3-methyl-2-(morpholine-4-carbonylamino)butanoic acid
SMILESCC(C)C(NC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-7(2)8(9(13)14)11-10(15)12-3-5-16-6-4-12/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyMUXWWFIMENYPLH-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.14
Rot. Bonds3

About 3-methyl-2-(morpholine-4-carbonylamino)butanoic acid

3-methyl-2-(morpholine-4-carbonylamino)butanoic acid (PubChem CID 5239398) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-methyl-2-(morpholine-4-carbonylamino)butanoic acid.

Molecular Properties

Compound Name3-methyl-2-(morpholine-4-carbonylamino)butanoic acid
PubChem CID5239398
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name3-methyl-2-(morpholine-4-carbonylamino)butanoic acid
SMILESCC(C)C(NC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-7(2)8(9(13)14)11-10(15)12-3-5-16-6-4-12/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyMUXWWFIMENYPLH-UHFFFAOYSA-N
XLogP0.14
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(morpholine-4-carbonylamino)butanoic acid?
The IUPAC name of 3-methyl-2-(morpholine-4-carbonylamino)butanoic acid (CID 5239398) is 3-methyl-2-(morpholine-4-carbonylamino)butanoic acid.
What is the SMILES notation for 3-methyl-2-(morpholine-4-carbonylamino)butanoic acid?
The canonical SMILES for 3-methyl-2-(morpholine-4-carbonylamino)butanoic acid is CC(C)C(NC(=O)N1CCOCC1)C(=O)O.
What is the InChIKey of 3-methyl-2-(morpholine-4-carbonylamino)butanoic acid?
The InChIKey is MUXWWFIMENYPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-7(2)8(9(13)14)11-10(15)12-3-5-16-6-4-12/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14).
What are the key properties of 3-methyl-2-(morpholine-4-carbonylamino)butanoic acid?
3-methyl-2-(morpholine-4-carbonylamino)butanoic acid has a molecular weight of 230.26 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(morpholine-4-carbonylamino)butanoic acid is sourced from PubChem (CID 5239398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).