methyl 3-[[2-(butylamino)-2-oxoethyl]-methylamino]propanoate

C11H22N2O3 — CID 62010683

IUPACmethyl 3-[[2-(butylamino)-2-oxoethyl]-methylamino]propanoate
SMILESCCCCNC(=O)CN(C)CCC(=O)OC
InChIInChI=1S/C11H22N2O3/c1-4-5-7-12-10(14)9-13(2)8-6-11(15)16-3/h4-9H2,1-3H3,(H,12,14)
InChIKeyHJYDYNZXLQMTLQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.40
Rot. Bonds8

About methyl 3-[[2-(butylamino)-2-oxoethyl]-methylamino]propanoate

methyl 3-[[2-(butylamino)-2-oxoethyl]-methylamino]propanoate (PubChem CID 62010683) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is methyl 3-[[2-(butylamino)-2-oxoethyl]-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(butylamino)-2-oxoethyl]-methylamino]propanoate
PubChem CID62010683
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Namemethyl 3-[[2-(butylamino)-2-oxoethyl]-methylamino]propanoate
SMILESCCCCNC(=O)CN(C)CCC(=O)OC
InChIInChI=1S/C11H22N2O3/c1-4-5-7-12-10(14)9-13(2)8-6-11(15)16-3/h4-9H2,1-3H3,(H,12,14)
InChIKeyHJYDYNZXLQMTLQ-UHFFFAOYSA-N
XLogP0.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[[2-(butylamino)-2-oxoethyl]-methylamino]propanoate
CID 62013172
methyl 3-[[2-(butylamino)-2-oxoethyl]-ethylamino]propanoate
CID 62026967
ethyl 4-[[2-[(3-ethoxy-3-oxopropyl)-methylamino]acetyl]amino]butanoate
CID 62012622
2-[butyl(methyl)amino]-N-(2-methoxyethyl)acetamide
CID 108994026
N-(4-methoxybutyl)-2-[methyl(propyl)amino]acetamide
CID 154671140
methyl 4-[[3-(butylamino)-3-oxopropyl]amino]-4-oxobutanoate
CID 159597212
methyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate
CID 60658617
2-[2-[[2-(hexadecylamino)-2-oxoethyl]-methylamino]ethyl-methylamino]acetic acid
CID 171721073
methyl 4-[butylcarbamoyl(methyl)amino]butanoate
CID 60970627
ethyl 4-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]butanoate
CID 60683876
methyl 4-(hexylamino)-4-oxobutanoate
CID 108797523
methyl 2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]acetate
CID 60660409

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(butylamino)-2-oxoethyl]-methylamino]propanoate?
The IUPAC name of methyl 3-[[2-(butylamino)-2-oxoethyl]-methylamino]propanoate (CID 62010683) is methyl 3-[[2-(butylamino)-2-oxoethyl]-methylamino]propanoate.
What is the SMILES notation for methyl 3-[[2-(butylamino)-2-oxoethyl]-methylamino]propanoate?
The canonical SMILES for methyl 3-[[2-(butylamino)-2-oxoethyl]-methylamino]propanoate is CCCCNC(=O)CN(C)CCC(=O)OC.
What is the InChIKey of methyl 3-[[2-(butylamino)-2-oxoethyl]-methylamino]propanoate?
The InChIKey is HJYDYNZXLQMTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-5-7-12-10(14)9-13(2)8-6-11(15)16-3/h4-9H2,1-3H3,(H,12,14).
What are the key properties of methyl 3-[[2-(butylamino)-2-oxoethyl]-methylamino]propanoate?
methyl 3-[[2-(butylamino)-2-oxoethyl]-methylamino]propanoate has a molecular weight of 230.31 g/mol, XLogP of 0.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(butylamino)-2-oxoethyl]-methylamino]propanoate is sourced from PubChem (CID 62010683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).