4-[2-methoxypropanoyl(methyl)amino]butanoic acid

C9H17NO4 — CID 115729894

IUPAC4-[2-methoxypropanoyl(methyl)amino]butanoic acid
SMILESCOC(C)C(=O)N(C)CCCC(=O)O
InChIInChI=1S/C9H17NO4/c1-7(14-3)9(13)10(2)6-4-5-8(11)12/h7H,4-6H2,1-3H3,(H,11,12)
InChIKeyJEXLPYMAXFWUMU-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.34
Rot. Bonds6

About 4-[2-methoxypropanoyl(methyl)amino]butanoic acid

4-[2-methoxypropanoyl(methyl)amino]butanoic acid (PubChem CID 115729894) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-[2-methoxypropanoyl(methyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[2-methoxypropanoyl(methyl)amino]butanoic acid
PubChem CID115729894
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name4-[2-methoxypropanoyl(methyl)amino]butanoic acid
SMILESCOC(C)C(=O)N(C)CCCC(=O)O
InChIInChI=1S/C9H17NO4/c1-7(14-3)9(13)10(2)6-4-5-8(11)12/h7H,4-6H2,1-3H3,(H,11,12)
InChIKeyJEXLPYMAXFWUMU-UHFFFAOYSA-N
XLogP0.34
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[2-methoxypropanoyl(methyl)amino]butanoate
CID 115588181
4-[(3-amino-2-methoxypropanoyl)-methylamino]butanoic acid
CID 106112313
N-[2-(dimethylamino)ethyl]-2-methoxy-N-methylpropanamide
CID 115674309
3-[2-ethoxypropanoyl(methyl)amino]propanoic acid
CID 119232901
4-[2-(4-bromophenoxy)propanoyl-methylamino]butanoic acid
CID 43240368
4-[2-(4-tert-butylphenoxy)propanoyl-methylamino]butanoic acid
CID 119172580
4-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-methylamino]butanoic acid
CID 55005795
4-[methyl-[2-(4-methylsulfanylphenoxy)propanoyl]amino]butanoic acid
CID 119173255
4-[2-(2-chlorophenoxy)propanoyl-methylamino]butanoic acid
CID 43359977
4-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]butanoic acid
CID 97323909
4-[[2-(methanesulfonamido)-4-methylpentanoyl]-methylamino]butanoic acid
CID 43360119
4-[2-(3-fluorophenoxy)propanoyl-methylamino]butanoic acid
CID 43360056

Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxypropanoyl(methyl)amino]butanoic acid?
The IUPAC name of 4-[2-methoxypropanoyl(methyl)amino]butanoic acid (CID 115729894) is 4-[2-methoxypropanoyl(methyl)amino]butanoic acid.
What is the SMILES notation for 4-[2-methoxypropanoyl(methyl)amino]butanoic acid?
The canonical SMILES for 4-[2-methoxypropanoyl(methyl)amino]butanoic acid is COC(C)C(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[2-methoxypropanoyl(methyl)amino]butanoic acid?
The InChIKey is JEXLPYMAXFWUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-7(14-3)9(13)10(2)6-4-5-8(11)12/h7H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 4-[2-methoxypropanoyl(methyl)amino]butanoic acid?
4-[2-methoxypropanoyl(methyl)amino]butanoic acid has a molecular weight of 203.24 g/mol, XLogP of 0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxypropanoyl(methyl)amino]butanoic acid is sourced from PubChem (CID 115729894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).