butoxycarbonyl 4-methylmorpholine-3-carboxylate

C11H19NO5 — CID 174915013

IUPACbutoxycarbonyl 4-methylmorpholine-3-carboxylate
SMILESCCCCOC(=O)OC(=O)C1COCCN1C
InChIInChI=1S/C11H19NO5/c1-3-4-6-16-11(14)17-10(13)9-8-15-7-5-12(9)2/h9H,3-8H2,1-2H3
InChIKeyKCKOXVCBSRBIFI-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.80
Rot. Bonds4

About butoxycarbonyl 4-methylmorpholine-3-carboxylate

butoxycarbonyl 4-methylmorpholine-3-carboxylate (PubChem CID 174915013) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is butoxycarbonyl 4-methylmorpholine-3-carboxylate.

Molecular Properties

Compound Namebutoxycarbonyl 4-methylmorpholine-3-carboxylate
PubChem CID174915013
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Namebutoxycarbonyl 4-methylmorpholine-3-carboxylate
SMILESCCCCOC(=O)OC(=O)C1COCCN1C
InChIInChI=1S/C11H19NO5/c1-3-4-6-16-11(14)17-10(13)9-8-15-7-5-12(9)2/h9H,3-8H2,1-2H3
InChIKeyKCKOXVCBSRBIFI-UHFFFAOYSA-N
XLogP0.80
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-O-butyl 3-O-methyl morpholine-3,4-dicarboxylate
CID 118540303
ethane;methyl 4-methylmorpholine-3-carboxylate
CID 144576536
methyl 4-(2-butoxy-2-oxoethyl)morpholine-3-carboxylate
CID 113296435
butyl 1,4-dioxane-2-carboxylate
CID 112727937
(3R)-4-methylmorpholine-3-carboxylic acid
CID 66864905
bis(butoxycarbonyl) carbonate
CID 87650057
4-hexylmorpholine-3-carboxamide
CID 174697838
(1-cyclopropyl-2,2,2-trifluoroethyl) 4-methylmorpholine-3-carboxylate
CID 75452277
butyl 1-methyl-4-(1-methylpiperidin-4-yl)piperazine-2-carboxylate
CID 58136032
tetrakis(barium(2+));bis(butoxycarbonyl) carbonate;hydride
CID 174616136
4-(2-methoxyethyl)morpholine-3-carboxamide
CID 129061483
butyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate
CID 58135984

Frequently Asked Questions

What is the IUPAC name of butoxycarbonyl 4-methylmorpholine-3-carboxylate?
The IUPAC name of butoxycarbonyl 4-methylmorpholine-3-carboxylate (CID 174915013) is butoxycarbonyl 4-methylmorpholine-3-carboxylate.
What is the SMILES notation for butoxycarbonyl 4-methylmorpholine-3-carboxylate?
The canonical SMILES for butoxycarbonyl 4-methylmorpholine-3-carboxylate is CCCCOC(=O)OC(=O)C1COCCN1C.
What is the InChIKey of butoxycarbonyl 4-methylmorpholine-3-carboxylate?
The InChIKey is KCKOXVCBSRBIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-3-4-6-16-11(14)17-10(13)9-8-15-7-5-12(9)2/h9H,3-8H2,1-2H3.
What are the key properties of butoxycarbonyl 4-methylmorpholine-3-carboxylate?
butoxycarbonyl 4-methylmorpholine-3-carboxylate has a molecular weight of 245.27 g/mol, XLogP of 0.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butoxycarbonyl 4-methylmorpholine-3-carboxylate is sourced from PubChem (CID 174915013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).