4-[ethyl(methyl)amino]-2-methylpentanoic acid

C9H19NO2 — CID 90929569

IUPAC4-[ethyl(methyl)amino]-2-methylpentanoic acid
SMILESCCN(C)C(C)CC(C)C(=O)O
InChIInChI=1S/C9H19NO2/c1-5-10(4)8(3)6-7(2)9(11)12/h7-8H,5-6H2,1-4H3,(H,11,12)
InChIKeyXKFSWZRNXVFDKQ-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.44
Rot. Bonds5

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

4-[ethyl(methyl)amino]-2-methylpentanoic acid (PubChem CID 90929569) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 4-[ethyl(methyl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name4-[ethyl(methyl)amino]-2-methylpentanoic acid
PubChem CID90929569
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name4-[ethyl(methyl)amino]-2-methylpentanoic acid
SMILESCCN(C)C(C)CC(C)C(=O)O
InChIInChI=1S/C9H19NO2/c1-5-10(4)8(3)6-7(2)9(11)12/h7-8H,5-6H2,1-4H3,(H,11,12)
InChIKeyXKFSWZRNXVFDKQ-UHFFFAOYSA-N
XLogP1.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(methyl)amino]-2-methylpentanoic acid?
The IUPAC name of 4-[ethyl(methyl)amino]-2-methylpentanoic acid (CID 90929569) is 4-[ethyl(methyl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 4-[ethyl(methyl)amino]-2-methylpentanoic acid?
The canonical SMILES for 4-[ethyl(methyl)amino]-2-methylpentanoic acid is CCN(C)C(C)CC(C)C(=O)O.
What is the InChIKey of 4-[ethyl(methyl)amino]-2-methylpentanoic acid?
The InChIKey is XKFSWZRNXVFDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-10(4)8(3)6-7(2)9(11)12/h7-8H,5-6H2,1-4H3,(H,11,12).
What are the key properties of 4-[ethyl(methyl)amino]-2-methylpentanoic acid?
4-[ethyl(methyl)amino]-2-methylpentanoic acid has a molecular weight of 173.26 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(methyl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 90929569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).