3-[ethyl(methyl)amino]pentanoic acid

C8H17NO2 — CID 63067557

IUPAC3-[ethyl(methyl)amino]pentanoic acid
SMILESCCC(CC(=O)O)N(C)CC
InChIInChI=1S/C8H17NO2/c1-4-7(6-8(10)11)9(3)5-2/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyVSEDALDXLYIHCC-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.19
Rot. Bonds5

About 3-[ethyl(methyl)amino]pentanoic acid

3-[ethyl(methyl)amino]pentanoic acid (PubChem CID 63067557) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-[ethyl(methyl)amino]pentanoic acid.

Molecular Properties

Compound Name3-[ethyl(methyl)amino]pentanoic acid
PubChem CID63067557
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name3-[ethyl(methyl)amino]pentanoic acid
SMILESCCC(CC(=O)O)N(C)CC
InChIInChI=1S/C8H17NO2/c1-4-7(6-8(10)11)9(3)5-2/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyVSEDALDXLYIHCC-UHFFFAOYSA-N
XLogP1.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-hydroxyethyl(methyl)amino]pentanoic acid
CID 112708683
3-[methyl(3-methylbutyl)amino]pentanoic acid
CID 63074034
3-[cyclopropylmethyl(methyl)amino]pentanoic acid
CID 63067785
3-[methyl(2-methylsulfonylethyl)amino]pentanoic acid
CID 79858971
3-[methyl-[(5-methylfuran-2-yl)methyl]amino]pentanoic acid
CID 63067752
3-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid
CID 63067935
3-[acetyl(butyl)amino]pentanoic acid
CID 87789164
3,4-difluorohexanoic acid
CID 87326869
3-[methyl(pentan-3-yl)amino]propanoic acid
CID 43571317
3-(dimethylamino)hexanoic acid
CID 64527574
3-[1-cyclopropylethyl(methyl)amino]pentanoic acid
CID 63069500
1-chloro-N-ethyl-N-methylbutan-2-amine
CID 130629325

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(methyl)amino]pentanoic acid?
The IUPAC name of 3-[ethyl(methyl)amino]pentanoic acid (CID 63067557) is 3-[ethyl(methyl)amino]pentanoic acid.
What is the SMILES notation for 3-[ethyl(methyl)amino]pentanoic acid?
The canonical SMILES for 3-[ethyl(methyl)amino]pentanoic acid is CCC(CC(=O)O)N(C)CC.
What is the InChIKey of 3-[ethyl(methyl)amino]pentanoic acid?
The InChIKey is VSEDALDXLYIHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-7(6-8(10)11)9(3)5-2/h7H,4-6H2,1-3H3,(H,10,11).
What are the key properties of 3-[ethyl(methyl)amino]pentanoic acid?
3-[ethyl(methyl)amino]pentanoic acid has a molecular weight of 159.23 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(methyl)amino]pentanoic acid is sourced from PubChem (CID 63067557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).