methyl 4-(4-methylpentanoyl)morpholine-3-carboxylate

C12H21NO4 — CID 115670163

IUPACmethyl 4-(4-methylpentanoyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)CCC(C)C
InChIInChI=1S/C12H21NO4/c1-9(2)4-5-11(14)13-6-7-17-8-10(13)12(15)16-3/h9-10H,4-8H2,1-3H3
InChIKeyNUQHIJQXOMJPLL-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.82
Rot. Bonds4

About methyl 4-(4-methylpentanoyl)morpholine-3-carboxylate

methyl 4-(4-methylpentanoyl)morpholine-3-carboxylate (PubChem CID 115670163) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is methyl 4-(4-methylpentanoyl)morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-methylpentanoyl)morpholine-3-carboxylate
PubChem CID115670163
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Namemethyl 4-(4-methylpentanoyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)CCC(C)C
InChIInChI=1S/C12H21NO4/c1-9(2)4-5-11(14)13-6-7-17-8-10(13)12(15)16-3/h9-10H,4-8H2,1-3H3
InChIKeyNUQHIJQXOMJPLL-UHFFFAOYSA-N
XLogP0.82
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(4-hydroxypentanoyl)morpholine-3-carboxylate
CID 113451830
2-[(3-methoxycarbonylmorpholine-4-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 104774718
methyl 4-(2,3-dimethylbutanoyl)morpholine-3-carboxylate
CID 115670189
3-[(3-methoxycarbonylmorpholine-4-carbonyl)-methylamino]propanoic acid
CID 113451757
methyl 4-(2,2-difluoroacetyl)morpholine-3-carboxylate
CID 103514384
4-(4-aminopentanoyl)morpholine-3-carboxamide
CID 83100902
methyl 4-[2-(2-oxopyrrolidin-1-yl)acetyl]morpholine-3-carboxylate
CID 115670168
methyl 4-[2-(2-aminophenyl)acetyl]morpholine-3-carboxylate
CID 104774429
methyl 4-(2,2-dimethylpropanoyl)morpholine-3-carboxylate
CID 104774844
methyl 4-(2-chloropropanoylcarbamoyl)morpholine-3-carboxylate
CID 104774828
methyl 4-(oxane-3-carbonyl)morpholine-3-carboxylate
CID 113247602
4-(4-aminopentanoyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83096865

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-methylpentanoyl)morpholine-3-carboxylate?
The IUPAC name of methyl 4-(4-methylpentanoyl)morpholine-3-carboxylate (CID 115670163) is methyl 4-(4-methylpentanoyl)morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-(4-methylpentanoyl)morpholine-3-carboxylate?
The canonical SMILES for methyl 4-(4-methylpentanoyl)morpholine-3-carboxylate is COC(=O)C1COCCN1C(=O)CCC(C)C.
What is the InChIKey of methyl 4-(4-methylpentanoyl)morpholine-3-carboxylate?
The InChIKey is NUQHIJQXOMJPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-9(2)4-5-11(14)13-6-7-17-8-10(13)12(15)16-3/h9-10H,4-8H2,1-3H3.
What are the key properties of methyl 4-(4-methylpentanoyl)morpholine-3-carboxylate?
methyl 4-(4-methylpentanoyl)morpholine-3-carboxylate has a molecular weight of 243.30 g/mol, XLogP of 0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-methylpentanoyl)morpholine-3-carboxylate is sourced from PubChem (CID 115670163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).