3-(4-tert-butyl-5-oxomorpholin-3-yl)propanoic acid

C11H19NO4 — CID 115060537

IUPAC3-(4-tert-butyl-5-oxomorpholin-3-yl)propanoic acid
SMILESCC(C)(C)N1C(=O)COCC1CCC(=O)O
InChIInChI=1S/C11H19NO4/c1-11(2,3)12-8(4-5-10(14)15)6-16-7-9(12)13/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeySLBYYYNNFMWCSP-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.88
Rot. Bonds3

About 3-(4-tert-butyl-5-oxomorpholin-3-yl)propanoic acid

3-(4-tert-butyl-5-oxomorpholin-3-yl)propanoic acid (PubChem CID 115060537) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-(4-tert-butyl-5-oxomorpholin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-tert-butyl-5-oxomorpholin-3-yl)propanoic acid
PubChem CID115060537
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name3-(4-tert-butyl-5-oxomorpholin-3-yl)propanoic acid
SMILESCC(C)(C)N1C(=O)COCC1CCC(=O)O
InChIInChI=1S/C11H19NO4/c1-11(2,3)12-8(4-5-10(14)15)6-16-7-9(12)13/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeySLBYYYNNFMWCSP-UHFFFAOYSA-N
XLogP0.88
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-tert-butyl-5-oxomorpholin-3-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-oxo-4-propylmorpholin-3-yl)propanoic acid
CID 115060552
3-(4-cyclopropyl-5-oxomorpholin-3-yl)propanoic acid
CID 115060435
3-(4-tert-butylmorpholin-3-yl)propanoic acid
CID 117009398
3-[4-(2-hydroxyphenyl)-5-oxomorpholin-3-yl]propanoic acid
CID 115060501
3-[4-[(2-methylphenyl)methyl]-5-oxomorpholin-3-yl]propanoic acid
CID 115060609
3-[5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]propanoic acid
CID 117009713
2-(1-tert-butyl-4-oxoazetidin-2-yl)acetic acid
CID 22253735
3-[4-[(2-chlorophenyl)methyl]-5-oxomorpholin-3-yl]propanoic acid
CID 115060611
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]propanoic acid
CID 53425042
4-(4-tert-butylphenyl)-5-(hydroxymethyl)morpholin-3-one
CID 117009566
3-[4-(4-methylphenyl)morpholin-3-yl]propanoic acid
CID 117009405
3-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)propanoic acid
CID 23594724

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butyl-5-oxomorpholin-3-yl)propanoic acid?
The IUPAC name of 3-(4-tert-butyl-5-oxomorpholin-3-yl)propanoic acid (CID 115060537) is 3-(4-tert-butyl-5-oxomorpholin-3-yl)propanoic acid.
What is the SMILES notation for 3-(4-tert-butyl-5-oxomorpholin-3-yl)propanoic acid?
The canonical SMILES for 3-(4-tert-butyl-5-oxomorpholin-3-yl)propanoic acid is CC(C)(C)N1C(=O)COCC1CCC(=O)O.
What is the InChIKey of 3-(4-tert-butyl-5-oxomorpholin-3-yl)propanoic acid?
The InChIKey is SLBYYYNNFMWCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-11(2,3)12-8(4-5-10(14)15)6-16-7-9(12)13/h8H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 3-(4-tert-butyl-5-oxomorpholin-3-yl)propanoic acid?
3-(4-tert-butyl-5-oxomorpholin-3-yl)propanoic acid has a molecular weight of 229.28 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butyl-5-oxomorpholin-3-yl)propanoic acid is sourced from PubChem (CID 115060537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).