(2R)-4-(3-cyclobutylpropanoyl)morpholine-2-carboxylic acid

C12H19NO4 — CID 129397543

IUPAC(2R)-4-(3-cyclobutylpropanoyl)morpholine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)CCC2CCC2)CCO1
InChIInChI=1S/C12H19NO4/c14-11(5-4-9-2-1-3-9)13-6-7-17-10(8-13)12(15)16/h9-10H,1-8H2,(H,15,16)/t10-/m1/s1
InChIKeyXBLNHBFDVJZSOE-SNVBAGLBSA-N
MW241.29 g/mol
LogP0.88
Rot. Bonds4

About (2R)-4-(3-cyclobutylpropanoyl)morpholine-2-carboxylic acid

(2R)-4-(3-cyclobutylpropanoyl)morpholine-2-carboxylic acid (PubChem CID 129397543) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is (2R)-4-(3-cyclobutylpropanoyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-(3-cyclobutylpropanoyl)morpholine-2-carboxylic acid
PubChem CID129397543
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name(2R)-4-(3-cyclobutylpropanoyl)morpholine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)CCC2CCC2)CCO1
InChIInChI=1S/C12H19NO4/c14-11(5-4-9-2-1-3-9)13-6-7-17-10(8-13)12(15)16/h9-10H,1-8H2,(H,15,16)/t10-/m1/s1
InChIKeyXBLNHBFDVJZSOE-SNVBAGLBSA-N
XLogP0.88
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(3-cyclopentylpropanoylamino)acetyl]morpholine-2-carboxylic acid
CID 119239938
4-(3-cyclopentylpropanoyl)morpholine-2-carbothioamide
CID 79674134
1-(3-cyclobutylpropanoyl)pyrrolidine-3-carboxylic acid
CID 119355276
4-(3-cyclopentylpropanoyl)morpholine-2-carbonitrile
CID 78945630
4-(4-methylsulfanylbutanoyl)morpholine-2-carboxylic acid
CID 119357821
(2R)-4-[2-[(2S)-oxolan-2-yl]acetyl]morpholine-2-carboxylic acid
CID 124512416
4-[2-(2,2,2-trifluoroethylamino)acetyl]morpholine-2-carboxylic acid
CID 79261444
4-(5-aminohexanoyl)morpholine-2-carboxylic acid
CID 82852225
3-[[4-(3-piperidin-4-ylpropanoyl)morpholine-2-carbonyl]amino]propanoic acid;hydrochloride
CID 22611867
4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-2-carboxylic acid
CID 112602092
3-cyclohexyl-1-[2-(3,5-dichlorophenyl)morpholin-4-yl]propan-1-one
CID 121134464
4-(4-oxo-4-phenylbutanoyl)morpholine-2-carboxylic acid
CID 119239623

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(3-cyclobutylpropanoyl)morpholine-2-carboxylic acid?
The IUPAC name of (2R)-4-(3-cyclobutylpropanoyl)morpholine-2-carboxylic acid (CID 129397543) is (2R)-4-(3-cyclobutylpropanoyl)morpholine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-(3-cyclobutylpropanoyl)morpholine-2-carboxylic acid?
The canonical SMILES for (2R)-4-(3-cyclobutylpropanoyl)morpholine-2-carboxylic acid is O=C(O)[C@H]1CN(C(=O)CCC2CCC2)CCO1.
What is the InChIKey of (2R)-4-(3-cyclobutylpropanoyl)morpholine-2-carboxylic acid?
The InChIKey is XBLNHBFDVJZSOE-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19NO4/c14-11(5-4-9-2-1-3-9)13-6-7-17-10(8-13)12(15)16/h9-10H,1-8H2,(H,15,16)/t10-/m1/s1.
What are the key properties of (2R)-4-(3-cyclobutylpropanoyl)morpholine-2-carboxylic acid?
(2R)-4-(3-cyclobutylpropanoyl)morpholine-2-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(3-cyclobutylpropanoyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 129397543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).