4-[3-ethylpentanoyl(methyl)amino]butanoic acid

C12H23NO3 — CID 119347002

IUPAC4-[3-ethylpentanoyl(methyl)amino]butanoic acid
SMILESCCC(CC)CC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C12H23NO3/c1-4-10(5-2)9-11(14)13(3)8-6-7-12(15)16/h10H,4-9H2,1-3H3,(H,15,16)
InChIKeyVIPYOJRFAADOTI-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.14
Rot. Bonds8

About 4-[3-ethylpentanoyl(methyl)amino]butanoic acid

4-[3-ethylpentanoyl(methyl)amino]butanoic acid (PubChem CID 119347002) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-[3-ethylpentanoyl(methyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[3-ethylpentanoyl(methyl)amino]butanoic acid
PubChem CID119347002
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name4-[3-ethylpentanoyl(methyl)amino]butanoic acid
SMILESCCC(CC)CC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C12H23NO3/c1-4-10(5-2)9-11(14)13(3)8-6-7-12(15)16/h10H,4-9H2,1-3H3,(H,15,16)
InChIKeyVIPYOJRFAADOTI-UHFFFAOYSA-N
XLogP2.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-ethylpentanoyl(methyl)amino]propanoic acid
CID 119362677
4-[3,5-dimethylhexanoyl(methyl)amino]butanoic acid
CID 119172664
4-[heptanoyl(methyl)amino]butanoic acid
CID 43172442
6-[butyl(methyl)amino]-6-oxohexanoic acid
CID 43447178
3-[3-ethylpentanoyl(propan-2-yl)amino]propanoic acid
CID 120520184
4-[3-cyclohexylbutanoyl(methyl)amino]butanoic acid
CID 119172655
4-[2-ethylhexylcarbamoyl(methyl)amino]butanoic acid
CID 107817325
10-[methyl(pentyl)amino]-10-oxodecanoic acid
CID 143390074
4-[6-aminohexanoyl(methyl)amino]butanoic acid
CID 61160590
4-[hydroxy(methyl)amino]butanoic acid
CID 130868262
5-[carboxy(methyl)amino]pentanoic acid
CID 89340824
3-ethylhexanedioic acid
CID 18477236

Frequently Asked Questions

What is the IUPAC name of 4-[3-ethylpentanoyl(methyl)amino]butanoic acid?
The IUPAC name of 4-[3-ethylpentanoyl(methyl)amino]butanoic acid (CID 119347002) is 4-[3-ethylpentanoyl(methyl)amino]butanoic acid.
What is the SMILES notation for 4-[3-ethylpentanoyl(methyl)amino]butanoic acid?
The canonical SMILES for 4-[3-ethylpentanoyl(methyl)amino]butanoic acid is CCC(CC)CC(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[3-ethylpentanoyl(methyl)amino]butanoic acid?
The InChIKey is VIPYOJRFAADOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-4-10(5-2)9-11(14)13(3)8-6-7-12(15)16/h10H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 4-[3-ethylpentanoyl(methyl)amino]butanoic acid?
4-[3-ethylpentanoyl(methyl)amino]butanoic acid has a molecular weight of 229.32 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-ethylpentanoyl(methyl)amino]butanoic acid is sourced from PubChem (CID 119347002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).