2-ethyl-4-[methyl(propyl)amino]butanoic acid

C10H21NO2 — CID 89228950

IUPAC2-ethyl-4-[methyl(propyl)amino]butanoic acid
SMILESCCCN(C)CCC(CC)C(=O)O
InChIInChI=1S/C10H21NO2/c1-4-7-11(3)8-6-9(5-2)10(12)13/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyOEQRYEINLXESPV-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.83
Rot. Bonds7

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

2-ethyl-4-[methyl(propyl)amino]butanoic acid (PubChem CID 89228950) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-ethyl-4-[methyl(propyl)amino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-4-[methyl(propyl)amino]butanoic acid
PubChem CID89228950
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-ethyl-4-[methyl(propyl)amino]butanoic acid
SMILESCCCN(C)CCC(CC)C(=O)O
InChIInChI=1S/C10H21NO2/c1-4-7-11(3)8-6-9(5-2)10(12)13/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyOEQRYEINLXESPV-UHFFFAOYSA-N
XLogP1.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[methyl(propyl)amino]butanoic acid?
The IUPAC name of 2-ethyl-4-[methyl(propyl)amino]butanoic acid (CID 89228950) is 2-ethyl-4-[methyl(propyl)amino]butanoic acid.
What is the SMILES notation for 2-ethyl-4-[methyl(propyl)amino]butanoic acid?
The canonical SMILES for 2-ethyl-4-[methyl(propyl)amino]butanoic acid is CCCN(C)CCC(CC)C(=O)O.
What is the InChIKey of 2-ethyl-4-[methyl(propyl)amino]butanoic acid?
The InChIKey is OEQRYEINLXESPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-7-11(3)8-6-9(5-2)10(12)13/h9H,4-8H2,1-3H3,(H,12,13).
What are the key properties of 2-ethyl-4-[methyl(propyl)amino]butanoic acid?
2-ethyl-4-[methyl(propyl)amino]butanoic acid has a molecular weight of 187.28 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[methyl(propyl)amino]butanoic acid is sourced from PubChem (CID 89228950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).