5-oxo-4-propan-2-ylmorpholine-3-carboxylic acid

C8H13NO4 — CID 83636543

IUPAC5-oxo-4-propan-2-ylmorpholine-3-carboxylic acid
SMILESCC(C)N1C(=O)COCC1C(=O)O
InChIInChI=1S/C8H13NO4/c1-5(2)9-6(8(11)12)3-13-4-7(9)10/h5-6H,3-4H2,1-2H3,(H,11,12)
InChIKeyHZEXMNWJXBRPGC-UHFFFAOYSA-N
MW187.19 g/mol
LogP-0.29
Rot. Bonds2

About 5-oxo-4-propan-2-ylmorpholine-3-carboxylic acid

5-oxo-4-propan-2-ylmorpholine-3-carboxylic acid (PubChem CID 83636543) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 5-oxo-4-propan-2-ylmorpholine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-4-propan-2-ylmorpholine-3-carboxylic acid
PubChem CID83636543
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name5-oxo-4-propan-2-ylmorpholine-3-carboxylic acid
SMILESCC(C)N1C(=O)COCC1C(=O)O
InChIInChI=1S/C8H13NO4/c1-5(2)9-6(8(11)12)3-13-4-7(9)10/h5-6H,3-4H2,1-2H3,(H,11,12)
InChIKeyHZEXMNWJXBRPGC-UHFFFAOYSA-N
XLogP-0.29
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(tert-Butoxycarbonyl)morpholine-3-carboxylic acid
CID 2760133
(3S)-4-(tert-Butoxycarbonyl)morpholine-3-carboxylic acid
CID 1512537
(3R)-4-(tert-Butoxycarbonyl)morpholine-3-carboxylic acid
CID 1512538
4-Acetylmorpholine-3-carboxylic acid
CID 65230625
4-Formylmorpholine-3-carboxylic acid
CID 65546534
2-(3-Oxomorpholin-4-yl)propanoic acid
CID 79468110
2-Methyl-2-(3-oxomorpholin-4-yl)propanoic acid
CID 82512191
4-(3,3,3-Trifluoropropanoyl)morpholine-3-carboxylic acid
CID 65546151
4-(2,2,2-Trifluoroacetyl)morpholine-3-carboxylic acid
CID 65548759
4-(2,2-Difluoroacetyl)morpholine-3-carboxylic acid
CID 103513348
Methyl 4-[2-(2,2,2-trifluoroethoxy)acetyl]morpholine-3-carboxylate
CID 113247608
4-[2-(2,2,2-Trifluoroethoxy)acetyl]morpholine-3-carboxylic acid
CID 113263265

Frequently Asked Questions

What is the IUPAC name of 5-oxo-4-propan-2-ylmorpholine-3-carboxylic acid?
The IUPAC name of 5-oxo-4-propan-2-ylmorpholine-3-carboxylic acid (CID 83636543) is 5-oxo-4-propan-2-ylmorpholine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-4-propan-2-ylmorpholine-3-carboxylic acid?
The canonical SMILES for 5-oxo-4-propan-2-ylmorpholine-3-carboxylic acid is CC(C)N1C(=O)COCC1C(=O)O.
What is the InChIKey of 5-oxo-4-propan-2-ylmorpholine-3-carboxylic acid?
The InChIKey is HZEXMNWJXBRPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-5(2)9-6(8(11)12)3-13-4-7(9)10/h5-6H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 5-oxo-4-propan-2-ylmorpholine-3-carboxylic acid?
5-oxo-4-propan-2-ylmorpholine-3-carboxylic acid has a molecular weight of 187.19 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-4-propan-2-ylmorpholine-3-carboxylic acid is sourced from PubChem (CID 83636543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).