methyl 4-[2-methoxypropanoyl(methyl)amino]butanoate

C10H19NO4 — CID 115588181

IUPACmethyl 4-[2-methoxypropanoyl(methyl)amino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)C(C)OC
InChIInChI=1S/C10H19NO4/c1-8(14-3)10(13)11(2)7-5-6-9(12)15-4/h8H,5-7H2,1-4H3
InChIKeyWORSZTLUFBPGQV-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.43
Rot. Bonds6

About methyl 4-[2-methoxypropanoyl(methyl)amino]butanoate

methyl 4-[2-methoxypropanoyl(methyl)amino]butanoate (PubChem CID 115588181) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is methyl 4-[2-methoxypropanoyl(methyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[2-methoxypropanoyl(methyl)amino]butanoate
PubChem CID115588181
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Namemethyl 4-[2-methoxypropanoyl(methyl)amino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)C(C)OC
InChIInChI=1S/C10H19NO4/c1-8(14-3)10(13)11(2)7-5-6-9(12)15-4/h8H,5-7H2,1-4H3
InChIKeyWORSZTLUFBPGQV-UHFFFAOYSA-N
XLogP0.43
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-methoxypropanoyl(methyl)amino]butanoic acid
CID 115729894
methyl 4-[[(2R)-2-amino-4-methylpentanoyl]-methylamino]butanoate
CID 93371964
methyl 4-[2-(carbamoylamino)propanoyl-methylamino]butanoate
CID 54943017
N-[2-(dimethylamino)ethyl]-2-methoxy-N-methylpropanamide
CID 115674309
methyl 4-[methyl-[2-(propylsulfonylamino)propanoyl]amino]butanoate
CID 60714617
methyl 4-[methyl(2-phenylsulfanylpropanoyl)amino]butanoate
CID 86917250
methyl 4-[ethylcarbamoyl(methyl)amino]butanoate
CID 60970924
methyl 4-[methyl-[2-(methylamino)acetyl]amino]butanoate
CID 60947887
N-(3-amino-4-methylpentyl)-2-methoxy-N-methylpropanamide
CID 115737860
methyl 4-[1-aminopropan-2-yl(methyl)amino]butanoate
CID 63382982
methyl 4-[tert-butylcarbamoyl(methyl)amino]butanoate
CID 55028566
methyl 4-[(2-amino-3-phenylpropanoyl)-methylamino]butanoate
CID 60947770

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-methoxypropanoyl(methyl)amino]butanoate?
The IUPAC name of methyl 4-[2-methoxypropanoyl(methyl)amino]butanoate (CID 115588181) is methyl 4-[2-methoxypropanoyl(methyl)amino]butanoate.
What is the SMILES notation for methyl 4-[2-methoxypropanoyl(methyl)amino]butanoate?
The canonical SMILES for methyl 4-[2-methoxypropanoyl(methyl)amino]butanoate is COC(=O)CCCN(C)C(=O)C(C)OC.
What is the InChIKey of methyl 4-[2-methoxypropanoyl(methyl)amino]butanoate?
The InChIKey is WORSZTLUFBPGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-8(14-3)10(13)11(2)7-5-6-9(12)15-4/h8H,5-7H2,1-4H3.
What are the key properties of methyl 4-[2-methoxypropanoyl(methyl)amino]butanoate?
methyl 4-[2-methoxypropanoyl(methyl)amino]butanoate has a molecular weight of 217.26 g/mol, XLogP of 0.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-methoxypropanoyl(methyl)amino]butanoate is sourced from PubChem (CID 115588181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).