methyl 4-(4-aminobutan-2-yl)morpholine-2-carboxylate

C10H20N2O3 — CID 115533856

IUPACmethyl 4-(4-aminobutan-2-yl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(C)CCN)CCO1
InChIInChI=1S/C10H20N2O3/c1-8(3-4-11)12-5-6-15-9(7-12)10(13)14-2/h8-9H,3-7,11H2,1-2H3
InChIKeyLLZNUSLYVDSICS-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.40
Rot. Bonds4

About methyl 4-(4-aminobutan-2-yl)morpholine-2-carboxylate

methyl 4-(4-aminobutan-2-yl)morpholine-2-carboxylate (PubChem CID 115533856) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl 4-(4-aminobutan-2-yl)morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-aminobutan-2-yl)morpholine-2-carboxylate
PubChem CID115533856
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Namemethyl 4-(4-aminobutan-2-yl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(C)CCN)CCO1
InChIInChI=1S/C10H20N2O3/c1-8(3-4-11)12-5-6-15-9(7-12)10(13)14-2/h8-9H,3-7,11H2,1-2H3
InChIKeyLLZNUSLYVDSICS-UHFFFAOYSA-N
XLogP-0.40
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2R)-4-[(2R)-4-(3-fluorophenyl)butan-2-yl]morpholine-2-carboxylate
CID 98891679
methyl 1-(4-aminobutan-2-yl)piperidine-4-carboxylate
CID 63382676
methyl 4-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]morpholine-2-carboxylate
CID 78926451
methyl 4-[(4-propan-2-ylmorpholin-2-yl)methyl]morpholine-2-carboxylate
CID 115537318
methyl 4-ethylmorpholine-2-carboxylate
CID 78926280
3-(2-ethylmorpholin-4-yl)butan-1-amine
CID 60913991
2-O-methyl 4-O-propan-2-yl morpholine-2,4-dicarboxylate
CID 115536113
4-pentan-2-ylmorpholine-2-carbothioamide
CID 107895727
methyl 4-(dimethylcarbamoyl)morpholine-2-carboxylate
CID 78927141
methyl 4-(2-bromo-3-methylbutanoyl)morpholine-2-carboxylate
CID 115534240
methyl 4-(3-amino-2-methyl-3-sulfanylidenepropanoyl)morpholine-2-carboxylate
CID 113330530
methyl 4-(2-cyanopropyl)morpholine-2-carboxylate
CID 115537417

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-aminobutan-2-yl)morpholine-2-carboxylate?
The IUPAC name of methyl 4-(4-aminobutan-2-yl)morpholine-2-carboxylate (CID 115533856) is methyl 4-(4-aminobutan-2-yl)morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-(4-aminobutan-2-yl)morpholine-2-carboxylate?
The canonical SMILES for methyl 4-(4-aminobutan-2-yl)morpholine-2-carboxylate is COC(=O)C1CN(C(C)CCN)CCO1.
What is the InChIKey of methyl 4-(4-aminobutan-2-yl)morpholine-2-carboxylate?
The InChIKey is LLZNUSLYVDSICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-8(3-4-11)12-5-6-15-9(7-12)10(13)14-2/h8-9H,3-7,11H2,1-2H3.
What are the key properties of methyl 4-(4-aminobutan-2-yl)morpholine-2-carboxylate?
methyl 4-(4-aminobutan-2-yl)morpholine-2-carboxylate has a molecular weight of 216.28 g/mol, XLogP of -0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-aminobutan-2-yl)morpholine-2-carboxylate is sourced from PubChem (CID 115533856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).