methyl 4-[(4-methoxy-4-oxobutyl)amino]-4-oxobutanoate

C10H17NO5 — CID 108808749

IUPACmethyl 4-[(4-methoxy-4-oxobutyl)amino]-4-oxobutanoate
SMILESCOC(=O)CCCNC(=O)CCC(=O)OC
InChIInChI=1S/C10H17NO5/c1-15-9(13)4-3-7-11-8(12)5-6-10(14)16-2/h3-7H2,1-2H3,(H,11,12)
InChIKeyXAVYFUSNIZUHIM-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.01
Rot. Bonds7

About methyl 4-[(4-methoxy-4-oxobutyl)amino]-4-oxobutanoate

methyl 4-[(4-methoxy-4-oxobutyl)amino]-4-oxobutanoate (PubChem CID 108808749) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is methyl 4-[(4-methoxy-4-oxobutyl)amino]-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-[(4-methoxy-4-oxobutyl)amino]-4-oxobutanoate
PubChem CID108808749
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Namemethyl 4-[(4-methoxy-4-oxobutyl)amino]-4-oxobutanoate
SMILESCOC(=O)CCCNC(=O)CCC(=O)OC
InChIInChI=1S/C10H17NO5/c1-15-9(13)4-3-7-11-8(12)5-6-10(14)16-2/h3-7H2,1-2H3,(H,11,12)
InChIKeyXAVYFUSNIZUHIM-UHFFFAOYSA-N
XLogP0.01
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.01
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

methyl 6-[[6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate
CID 71625530
methyl 4-(hexylamino)-4-oxobutanoate
CID 108797523
methyl 4-[[3-(butylamino)-3-oxopropyl]amino]-4-oxobutanoate
CID 159597212
methyl 4-(tridecanoylamino)butanoate
CID 101398455
methyl 10-(octadecanoylamino)decanoate
CID 54073329
methyl 5-(octadecanoylamino)pentanoate
CID 155660844
methyl 5-(4-methoxybutylamino)-5-oxopentanoate
CID 87688310
methyl 6-(nonanoylamino)hexanoate
CID 43423430
methyl 6-[6-(methoxycarbonylamino)hexanoylamino]hexanoate
CID 22088707
methyl 4-[[2-(octanoylamino)acetyl]amino]butanoate
CID 146388718
methyl 3-[[4-(methylamino)-4-oxobutanoyl]amino]propanoate
CID 170452403
methyl 4-(octadec-9-enoylamino)butanoate
CID 154051875

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-methoxy-4-oxobutyl)amino]-4-oxobutanoate?
The IUPAC name of methyl 4-[(4-methoxy-4-oxobutyl)amino]-4-oxobutanoate (CID 108808749) is methyl 4-[(4-methoxy-4-oxobutyl)amino]-4-oxobutanoate.
What is the SMILES notation for methyl 4-[(4-methoxy-4-oxobutyl)amino]-4-oxobutanoate?
The canonical SMILES for methyl 4-[(4-methoxy-4-oxobutyl)amino]-4-oxobutanoate is COC(=O)CCCNC(=O)CCC(=O)OC.
What is the InChIKey of methyl 4-[(4-methoxy-4-oxobutyl)amino]-4-oxobutanoate?
The InChIKey is XAVYFUSNIZUHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-15-9(13)4-3-7-11-8(12)5-6-10(14)16-2/h3-7H2,1-2H3,(H,11,12).
What are the key properties of methyl 4-[(4-methoxy-4-oxobutyl)amino]-4-oxobutanoate?
methyl 4-[(4-methoxy-4-oxobutyl)amino]-4-oxobutanoate has a molecular weight of 231.25 g/mol, XLogP of 0.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-methoxy-4-oxobutyl)amino]-4-oxobutanoate is sourced from PubChem (CID 108808749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).