tert-butyl 2-(5-methoxypentanoyl)morpholine-4-carboxylate

C15H27NO5 — CID 57449676

IUPACtert-butyl 2-(5-methoxypentanoyl)morpholine-4-carboxylate
SMILESCOCCCCC(=O)C1CN(C(=O)OC(C)(C)C)CCO1
InChIInChI=1S/C15H27NO5/c1-15(2,3)21-14(18)16-8-10-20-13(11-16)12(17)7-5-6-9-19-4/h13H,5-11H2,1-4H3
InChIKeySVDRCQSRESMYRQ-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.01
Rot. Bonds6

About tert-butyl 2-(5-methoxypentanoyl)morpholine-4-carboxylate

tert-butyl 2-(5-methoxypentanoyl)morpholine-4-carboxylate (PubChem CID 57449676) has the molecular formula C15H27NO5 and a molecular weight of 301.38 g/mol. Its IUPAC name is tert-butyl 2-(5-methoxypentanoyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(5-methoxypentanoyl)morpholine-4-carboxylate
PubChem CID57449676
Molecular FormulaC15H27NO5
Molecular Weight301.38 g/mol
Exact Mass301.19
IUPAC Nametert-butyl 2-(5-methoxypentanoyl)morpholine-4-carboxylate
SMILESCOCCCCC(=O)C1CN(C(=O)OC(C)(C)C)CCO1
InChIInChI=1S/C15H27NO5/c1-15(2,3)21-14(18)16-8-10-20-13(11-16)12(17)7-5-6-9-19-4/h13H,5-11H2,1-4H3
InChIKeySVDRCQSRESMYRQ-UHFFFAOYSA-N
XLogP2.01
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylate
CID 35549476
lithium (2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylate
CID 134859282
tert-butyl 2-(cyclopropylcarbamoyl)morpholine-4-carboxylate
CID 59494690
tert-butyl 2-(2,2-dicyano-1-methoxyethenyl)morpholine-4-carboxylate
CID 178068955
tert-butyl 2-(aminomethyl)morpholine-4-carboxylate
CID 19081094
tert-butyl (2R)-2-[[2-bromo-4-hydroxy-5-(3-methoxypropoxy)phenyl]methyl-cyclopropylcarbamoyl]morpholine-4-carboxylate
CID 126583389
tert-butyl 2-(2-ethoxyprop-2-enoyl)morpholine-4-carboxylate
CID 162741113
tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate
CID 86593644
tert-butyl (2S)-2-(3-methoxy-3-oxopropyl)morpholine-4-carboxylate
CID 172685456
tert-butyl 2-[cyclopropyl-[1-[4-hydroxy-3-(3-methoxypropoxy)phenyl]ethyl]carbamoyl]morpholine-4-carboxylate
CID 77474708
tert-butyl (2R)-2-[cyclopropyl-[[4-(3-methoxypropoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]carbamoyl]morpholine-4-carboxylate
CID 59494937
tert-butyl 2-[1-[methyl(propan-2-yl)amino]ethenyl]morpholine-4-carboxylate
CID 123976217

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(5-methoxypentanoyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-(5-methoxypentanoyl)morpholine-4-carboxylate (CID 57449676) is tert-butyl 2-(5-methoxypentanoyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-(5-methoxypentanoyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-(5-methoxypentanoyl)morpholine-4-carboxylate is COCCCCC(=O)C1CN(C(=O)OC(C)(C)C)CCO1.
What is the InChIKey of tert-butyl 2-(5-methoxypentanoyl)morpholine-4-carboxylate?
The InChIKey is SVDRCQSRESMYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO5/c1-15(2,3)21-14(18)16-8-10-20-13(11-16)12(17)7-5-6-9-19-4/h13H,5-11H2,1-4H3.
What are the key properties of tert-butyl 2-(5-methoxypentanoyl)morpholine-4-carboxylate?
tert-butyl 2-(5-methoxypentanoyl)morpholine-4-carboxylate has a molecular weight of 301.38 g/mol, XLogP of 2.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(5-methoxypentanoyl)morpholine-4-carboxylate is sourced from PubChem (CID 57449676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).