2-[(4-methoxy-4-oxobutyl)-methylamino]butanoic acid

C10H19NO4 — CID 64661402

IUPAC2-[(4-methoxy-4-oxobutyl)-methylamino]butanoic acid
SMILESCCC(C(=O)O)N(C)CCCC(=O)OC
InChIInChI=1S/C10H19NO4/c1-4-8(10(13)14)11(2)7-5-6-9(12)15-3/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyJDSMPTACMVCEMZ-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.73
Rot. Bonds7

About 2-[(4-methoxy-4-oxobutyl)-methylamino]butanoic acid

2-[(4-methoxy-4-oxobutyl)-methylamino]butanoic acid (PubChem CID 64661402) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-[(4-methoxy-4-oxobutyl)-methylamino]butanoic acid.

Molecular Properties

Compound Name2-[(4-methoxy-4-oxobutyl)-methylamino]butanoic acid
PubChem CID64661402
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-[(4-methoxy-4-oxobutyl)-methylamino]butanoic acid
SMILESCCC(C(=O)O)N(C)CCCC(=O)OC
InChIInChI=1S/C10H19NO4/c1-4-8(10(13)14)11(2)7-5-6-9(12)15-3/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyJDSMPTACMVCEMZ-UHFFFAOYSA-N
XLogP0.73
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[methyl(1-methylsulfanylpropan-2-yl)amino]butanoate
CID 112692200
methyl 4-[1-aminopropan-2-yl(methyl)amino]butanoate
CID 63382982
2-[methyl(4-methylsulfanylbutyl)amino]butanoic acid
CID 103090457
2-[2-aminoethyl(methyl)amino]butanoic acid
CID 63654075
3-[(4-methoxy-4-oxobutyl)-methylamino]propanoic acid;hydrochloride
CID 170901625
2-[2-cyanoethyl(methyl)amino]butanoic acid
CID 43808967
3-[ethyl-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 62853396
ethyl 2-[(3-methoxy-3-oxopropyl)-methylamino]pentanoate
CID 83043139
methyl 4-[ethylcarbamoyl(methyl)amino]butanoate
CID 60970924
methyl 4-[methyl(2-methylbutan-2-yl)amino]butanoate
CID 63965064
methyl 4-[2-methoxypropanoyl(methyl)amino]butanoate
CID 115588181
2-[methyl(3-pyrazol-1-ylpropyl)amino]butanoic acid
CID 122566091

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-4-oxobutyl)-methylamino]butanoic acid?
The IUPAC name of 2-[(4-methoxy-4-oxobutyl)-methylamino]butanoic acid (CID 64661402) is 2-[(4-methoxy-4-oxobutyl)-methylamino]butanoic acid.
What is the SMILES notation for 2-[(4-methoxy-4-oxobutyl)-methylamino]butanoic acid?
The canonical SMILES for 2-[(4-methoxy-4-oxobutyl)-methylamino]butanoic acid is CCC(C(=O)O)N(C)CCCC(=O)OC.
What is the InChIKey of 2-[(4-methoxy-4-oxobutyl)-methylamino]butanoic acid?
The InChIKey is JDSMPTACMVCEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-4-8(10(13)14)11(2)7-5-6-9(12)15-3/h8H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2-[(4-methoxy-4-oxobutyl)-methylamino]butanoic acid?
2-[(4-methoxy-4-oxobutyl)-methylamino]butanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-4-oxobutyl)-methylamino]butanoic acid is sourced from PubChem (CID 64661402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).