4-[ethyl(methyl)amino]pentanoic acid

C8H17NO2 — CID 62214342

IUPAC4-[ethyl(methyl)amino]pentanoic acid
SMILESCCN(C)C(C)CCC(=O)O
InChIInChI=1S/C8H17NO2/c1-4-9(3)7(2)5-6-8(10)11/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyLXNJOWWTNNVGAF-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.19
Rot. Bonds5

About 4-[ethyl(methyl)amino]pentanoic acid

4-[ethyl(methyl)amino]pentanoic acid (PubChem CID 62214342) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 4-[ethyl(methyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-[ethyl(methyl)amino]pentanoic acid
PubChem CID62214342
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name4-[ethyl(methyl)amino]pentanoic acid
SMILESCCN(C)C(C)CCC(=O)O
InChIInChI=1S/C8H17NO2/c1-4-9(3)7(2)5-6-8(10)11/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyLXNJOWWTNNVGAF-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

4-[2-hydroxypropyl(methyl)amino]pentanoic acid
CID 62332604
(4R)-4-(dimethylamino)pentanoic acid
CID 92669584
4-(dimethylamino)pentanoic acid
CID 18442969
4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]pentanoic acid
CID 62215247
4-[cyclopropylmethyl(methyl)amino]pentanoic acid
CID 62213989
4-[methyl(pentan-3-yl)amino]pentanoic acid
CID 62213096
butanedioic acid;1-(dimethylamino)ethanol
CID 87203618
N,N-dimethylmethanamine;2-methylpentanedioic acid
CID 174605031
azane;butanedioic acid;ethanol
CID 87975822
6-(diethylamino)-4-methylhexanoic acid
CID 79695206
3-[methyl(pentan-3-yl)amino]propanoic acid
CID 43571317
ethane;(2R)-N-ethyl-N-methylpentan-2-amine
CID 142583789

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(methyl)amino]pentanoic acid?
The IUPAC name of 4-[ethyl(methyl)amino]pentanoic acid (CID 62214342) is 4-[ethyl(methyl)amino]pentanoic acid.
What is the SMILES notation for 4-[ethyl(methyl)amino]pentanoic acid?
The canonical SMILES for 4-[ethyl(methyl)amino]pentanoic acid is CCN(C)C(C)CCC(=O)O.
What is the InChIKey of 4-[ethyl(methyl)amino]pentanoic acid?
The InChIKey is LXNJOWWTNNVGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-9(3)7(2)5-6-8(10)11/h7H,4-6H2,1-3H3,(H,10,11).
What are the key properties of 4-[ethyl(methyl)amino]pentanoic acid?
4-[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 4-[ethyl(methyl)amino]pentanoic acid is sourced from PubChem (CID 62214342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).