tert-butyl 4-(morpholine-4-carbonylamino)butanoate

C13H24N2O4 — CID 159703563

IUPACtert-butyl 4-(morpholine-4-carbonylamino)butanoate
SMILESCC(C)(C)OC(=O)CCCNC(=O)N1CCOCC1
InChIInChI=1S/C13H24N2O4/c1-13(2,3)19-11(16)5-4-6-14-12(17)15-7-9-18-10-8-15/h4-10H2,1-3H3,(H,14,17)
InChIKeyHUEKVSGJRVOLHB-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.15
Rot. Bonds4

About tert-butyl 4-(morpholine-4-carbonylamino)butanoate

tert-butyl 4-(morpholine-4-carbonylamino)butanoate (PubChem CID 159703563) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is tert-butyl 4-(morpholine-4-carbonylamino)butanoate.

Molecular Properties

Compound Nametert-butyl 4-(morpholine-4-carbonylamino)butanoate
PubChem CID159703563
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Nametert-butyl 4-(morpholine-4-carbonylamino)butanoate
SMILESCC(C)(C)OC(=O)CCCNC(=O)N1CCOCC1
InChIInChI=1S/C13H24N2O4/c1-13(2,3)19-11(16)5-4-6-14-12(17)15-7-9-18-10-8-15/h4-10H2,1-3H3,(H,14,17)
InChIKeyHUEKVSGJRVOLHB-UHFFFAOYSA-N
XLogP1.15
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[2,2,6-Trimethyl-6-(trifluoromethyl)morpholine-4-carbonyl]amino]butanoic acid
CID 122021975
4-[[2,2-Dimethyl-6-(trifluoromethyl)morpholine-4-carbonyl]amino]butanoic acid
CID 122021999
ethyl N-({2-[2-(dimethylamino)ethyl]-4-morpholinyl}carbonyl)-beta-alaninate
CID 45201206
Ethyl 4-acetamido-4-morpholin-4-ylbutanoate
CID 22069192
2-Morpholin-4-ylethyl 4-(2,2-dimethylpropanoylamino)butanoate
CID 24808468
4-Morpholin-4-ylbutyl 4-(2,2-dimethylpropanoylamino)butanoate
CID 24952845
2-(Morpholine-4-carbonylamino)ethyl 2,2-dimethylbutanoate
CID 57553347
3-Morpholin-4-ylpropyl 4-(2,2-dimethylpropanoylamino)butanoate
CID 57979666
Methyl 3-(morpholine-4-carbonylamino)butanoate
CID 59833276
ethyl (2S)-2-[[methyl(propan-2-yl)carbamoyl]amino]-4-morpholin-4-ylbutanoate
CID 68042363
Ethyl 2-[[methyl(propan-2-yl)carbamoyl]amino]-4-morpholin-4-ylbutanoate
CID 77399475
Potassium 2-[[methyl(propan-2-yl)carbamoyl]amino]-4-morpholin-4-ylbutanoate
CID 140619520

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(morpholine-4-carbonylamino)butanoate?
The IUPAC name of tert-butyl 4-(morpholine-4-carbonylamino)butanoate (CID 159703563) is tert-butyl 4-(morpholine-4-carbonylamino)butanoate.
What is the SMILES notation for tert-butyl 4-(morpholine-4-carbonylamino)butanoate?
The canonical SMILES for tert-butyl 4-(morpholine-4-carbonylamino)butanoate is CC(C)(C)OC(=O)CCCNC(=O)N1CCOCC1.
What is the InChIKey of tert-butyl 4-(morpholine-4-carbonylamino)butanoate?
The InChIKey is HUEKVSGJRVOLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-13(2,3)19-11(16)5-4-6-14-12(17)15-7-9-18-10-8-15/h4-10H2,1-3H3,(H,14,17).
What are the key properties of tert-butyl 4-(morpholine-4-carbonylamino)butanoate?
tert-butyl 4-(morpholine-4-carbonylamino)butanoate has a molecular weight of 272.34 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(morpholine-4-carbonylamino)butanoate is sourced from PubChem (CID 159703563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).