methyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate

C11H21NO4 — CID 54383502

IUPACmethyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate
SMILESCOC(=O)CCCNCC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-11(2,3)16-10(14)8-12-7-5-6-9(13)15-4/h12H,5-8H2,1-4H3
InChIKeyVBPKGRYZALPJRU-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.87
Rot. Bonds6

About methyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate

methyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate (PubChem CID 54383502) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is methyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate
PubChem CID54383502
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Namemethyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate
SMILESCOC(=O)CCCNCC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-11(2,3)16-10(14)8-12-7-5-6-9(13)15-4/h12H,5-8H2,1-4H3
InChIKeyVBPKGRYZALPJRU-UHFFFAOYSA-N
XLogP0.87
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-[(4-amino-4-oxobutyl)amino]acetate
CID 60864302
tert-butyl 2-(3-bromopropylamino)acetate
CID 87746649
tert-butyl 2-(octylamino)acetate
CID 78913453
methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]acetate
CID 123437177
tert-butyl 2-(4,4,4-trifluorobutylamino)acetate
CID 58330495
tert-butyl 4-(propylamino)butanoate
CID 22329227
tert-butyl 2-(pent-4-enylamino)acetate
CID 86171439
tert-butyl 2-[2-(methylamino)ethylamino]acetate
CID 59921864
methyl 4-(2,2-dimethylpropylamino)butanoate
CID 61168407
methyl 4-[(3-methoxy-3-oxopropyl)amino]butanoate
CID 60926530
tert-butyl 4-(5-hydroxypentylamino)butanoate
CID 176899460
tert-butyl 2-(3-methylbutylamino)acetate
CID 15481673

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate?
The IUPAC name of methyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate (CID 54383502) is methyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate.
What is the SMILES notation for methyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate?
The canonical SMILES for methyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate is COC(=O)CCCNCC(=O)OC(C)(C)C.
What is the InChIKey of methyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate?
The InChIKey is VBPKGRYZALPJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-11(2,3)16-10(14)8-12-7-5-6-9(13)15-4/h12H,5-8H2,1-4H3.
What are the key properties of methyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate?
methyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate has a molecular weight of 231.29 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate is sourced from PubChem (CID 54383502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).