4-[butanoyl(methyl)amino]butanoic acid

C9H17NO3 — CID 43151783

IUPAC4-[butanoyl(methyl)amino]butanoic acid
SMILESCCCC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C9H17NO3/c1-3-5-8(11)10(2)7-4-6-9(12)13/h3-7H2,1-2H3,(H,12,13)
InChIKeyGQHFJLLULBDEBG-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.11
Rot. Bonds6

About 4-[butanoyl(methyl)amino]butanoic acid

4-[butanoyl(methyl)amino]butanoic acid (PubChem CID 43151783) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 4-[butanoyl(methyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[butanoyl(methyl)amino]butanoic acid
PubChem CID43151783
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name4-[butanoyl(methyl)amino]butanoic acid
SMILESCCCC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C9H17NO3/c1-3-5-8(11)10(2)7-4-6-9(12)13/h3-7H2,1-2H3,(H,12,13)
InChIKeyGQHFJLLULBDEBG-UHFFFAOYSA-N
XLogP1.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[butanoyl(methyl)amino]butanoic acid?
The IUPAC name of 4-[butanoyl(methyl)amino]butanoic acid (CID 43151783) is 4-[butanoyl(methyl)amino]butanoic acid.
What is the SMILES notation for 4-[butanoyl(methyl)amino]butanoic acid?
The canonical SMILES for 4-[butanoyl(methyl)amino]butanoic acid is CCCC(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[butanoyl(methyl)amino]butanoic acid?
The InChIKey is GQHFJLLULBDEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-5-8(11)10(2)7-4-6-9(12)13/h3-7H2,1-2H3,(H,12,13).
What are the key properties of 4-[butanoyl(methyl)amino]butanoic acid?
4-[butanoyl(methyl)amino]butanoic acid has a molecular weight of 187.24 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butanoyl(methyl)amino]butanoic acid is sourced from PubChem (CID 43151783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).