tert-butyl 3-morpholin-3-ylpropanoate

C11H21NO3 — CID 53408695

IUPACtert-butyl 3-morpholin-3-ylpropanoate
SMILESCC(C)(C)OC(=O)CCC1COCCN1
InChIInChI=1S/C11H21NO3/c1-11(2,3)15-10(13)5-4-9-8-14-7-6-12-9/h9,12H,4-8H2,1-3H3
InChIKeyZKXCNRADZYJAOG-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.10
Rot. Bonds3

About tert-butyl 3-morpholin-3-ylpropanoate

tert-butyl 3-morpholin-3-ylpropanoate (PubChem CID 53408695) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl 3-morpholin-3-ylpropanoate.

Molecular Properties

Compound Nametert-butyl 3-morpholin-3-ylpropanoate
PubChem CID53408695
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl 3-morpholin-3-ylpropanoate
SMILESCC(C)(C)OC(=O)CCC1COCCN1
InChIInChI=1S/C11H21NO3/c1-11(2,3)15-10(13)5-4-9-8-14-7-6-12-9/h9,12H,4-8H2,1-3H3
InChIKeyZKXCNRADZYJAOG-UHFFFAOYSA-N
XLogP1.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-morpholin-3-ylpropanoate 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

tert-butyl N-iodo-N-(morpholin-3-ylmethyl)carbamate
CID 87899676
3-[(2-methylpropan-2-yl)oxymethyl]morpholine
CID 58365003
tert-butyl N-[1-(1-morpholin-3-ylpropan-2-ylamino)propan-2-yl]carbamate
CID 107247432
tert-butyl N-[4-(1-morpholin-3-ylpropan-2-ylamino)butan-2-yl]carbamate
CID 107246908
tert-butyl (3R)-3-(aminooxymethyl)morpholine-4-carboxylate;O-[[(3R)-morpholin-3-yl]methyl]hydroxylamine
CID 159531809
tert-butyl N-methyl-N-[2-(1-morpholin-3-ylpropan-2-ylamino)ethyl]carbamate
CID 107244961
3,3,3-trifluoro-2-methyl-2-(morpholin-3-ylmethyl)propanoic acid
CID 166703195
[(3S)-morpholin-3-yl]methyl ethaneperoxoate
CID 87550151
2-[(3S)-morpholin-3-yl]acetamide
CID 96824646
3-(2-cyclopentylethyl)morpholine
CID 116928258
2-morpholin-3-ylacetic acid;hydrochloride
CID 13099576
tert-butyl 3-(1-morpholin-3-ylpropan-2-ylamino)pyrrolidine-1-carboxylate
CID 107239334

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-morpholin-3-ylpropanoate?
The IUPAC name of tert-butyl 3-morpholin-3-ylpropanoate (CID 53408695) is tert-butyl 3-morpholin-3-ylpropanoate.
What is the SMILES notation for tert-butyl 3-morpholin-3-ylpropanoate?
The canonical SMILES for tert-butyl 3-morpholin-3-ylpropanoate is CC(C)(C)OC(=O)CCC1COCCN1.
What is the InChIKey of tert-butyl 3-morpholin-3-ylpropanoate?
The InChIKey is ZKXCNRADZYJAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-11(2,3)15-10(13)5-4-9-8-14-7-6-12-9/h9,12H,4-8H2,1-3H3.
What are the key properties of tert-butyl 3-morpholin-3-ylpropanoate?
tert-butyl 3-morpholin-3-ylpropanoate has a molecular weight of 215.29 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-morpholin-3-ylpropanoate is sourced from PubChem (CID 53408695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).