3-[3-ethylpentanoyl(methyl)amino]propanoic acid

C11H21NO3 — CID 119362677

IUPAC3-[3-ethylpentanoyl(methyl)amino]propanoic acid
SMILESCCC(CC)CC(=O)N(C)CCC(=O)O
InChIInChI=1S/C11H21NO3/c1-4-9(5-2)8-10(13)12(3)7-6-11(14)15/h9H,4-8H2,1-3H3,(H,14,15)
InChIKeyMWRNHFBITAPCMK-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.75
Rot. Bonds7

About 3-[3-ethylpentanoyl(methyl)amino]propanoic acid

3-[3-ethylpentanoyl(methyl)amino]propanoic acid (PubChem CID 119362677) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-[3-ethylpentanoyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[3-ethylpentanoyl(methyl)amino]propanoic acid
PubChem CID119362677
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-[3-ethylpentanoyl(methyl)amino]propanoic acid
SMILESCCC(CC)CC(=O)N(C)CCC(=O)O
InChIInChI=1S/C11H21NO3/c1-4-9(5-2)8-10(13)12(3)7-6-11(14)15/h9H,4-8H2,1-3H3,(H,14,15)
InChIKeyMWRNHFBITAPCMK-UHFFFAOYSA-N
XLogP1.75
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-ethylpentanoyl(methyl)amino]butanoic acid
CID 119347002
3-[3-ethylpentanoyl(propan-2-yl)amino]propanoic acid
CID 120520184
3-[methyl(3,4,4-trimethylpentanoyl)amino]propanoic acid
CID 63833569
3-ethylhexanedioic acid
CID 18477236
3-[[2-[acetyl(methyl)amino]acetyl]-methylamino]propanoic acid
CID 60989976
3-[[5-(dimethylamino)-5-oxopentanoyl]-methylamino]propanoic acid
CID 119233192
CID 88685642
CID 88685642
3-[[5-(diethylamino)-5-oxopentanoyl]-methylamino]propanoic acid
CID 119232796
sodium 3-[methyl(tetradecanoyl)amino]propanoic acid
CID 22614079
3-[methyl(pentan-3-yl)amino]propanoic acid
CID 43571317
3-[methyl-(2-propylsulfanylacetyl)amino]propanoic acid
CID 115731280
3-[2-ethoxypropanoyl(methyl)amino]propanoic acid
CID 119232901

Frequently Asked Questions

What is the IUPAC name of 3-[3-ethylpentanoyl(methyl)amino]propanoic acid?
The IUPAC name of 3-[3-ethylpentanoyl(methyl)amino]propanoic acid (CID 119362677) is 3-[3-ethylpentanoyl(methyl)amino]propanoic acid.
What is the SMILES notation for 3-[3-ethylpentanoyl(methyl)amino]propanoic acid?
The canonical SMILES for 3-[3-ethylpentanoyl(methyl)amino]propanoic acid is CCC(CC)CC(=O)N(C)CCC(=O)O.
What is the InChIKey of 3-[3-ethylpentanoyl(methyl)amino]propanoic acid?
The InChIKey is MWRNHFBITAPCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-9(5-2)8-10(13)12(3)7-6-11(14)15/h9H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 3-[3-ethylpentanoyl(methyl)amino]propanoic acid?
3-[3-ethylpentanoyl(methyl)amino]propanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-ethylpentanoyl(methyl)amino]propanoic acid is sourced from PubChem (CID 119362677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).