3-[ethyl(propyl)amino]-2-methylpropanoic acid

C9H19NO2 — CID 43538770

IUPAC3-[ethyl(propyl)amino]-2-methylpropanoic acid
SMILESCCCN(CC)CC(C)C(=O)O
InChIInChI=1S/C9H19NO2/c1-4-6-10(5-2)7-8(3)9(11)12/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyJQRLDMXIWWMAOB-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.44
Rot. Bonds6

About 3-[ethyl(propyl)amino]-2-methylpropanoic acid

3-[ethyl(propyl)amino]-2-methylpropanoic acid (PubChem CID 43538770) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-[ethyl(propyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl(propyl)amino]-2-methylpropanoic acid
PubChem CID43538770
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name3-[ethyl(propyl)amino]-2-methylpropanoic acid
SMILESCCCN(CC)CC(C)C(=O)O
InChIInChI=1S/C9H19NO2/c1-4-6-10(5-2)7-8(3)9(11)12/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyJQRLDMXIWWMAOB-UHFFFAOYSA-N
XLogP1.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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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Related Compounds

3-[[2-(dipropylamino)-2-oxoethyl]-propylamino]-2-methylpropanoic acid
CID 82327114
3-[(3-cyano-3-methylbutyl)-ethylamino]-2-methylpropanoic acid
CID 65250416
3-[2-carboxyethyl-[2-(diethylamino)ethyl]amino]-2-methylpropanoic acid
CID 82329266
3-[3-(diethylamino)propyl-(2-methylpropyl)amino]-2-methylpropanoic acid
CID 82329011
3-[ethyl-[3-(methylcarbamoylamino)-3-oxopropyl]amino]-2-methylpropanoic acid
CID 55123155
3-[ethyl(4-methoxybutyl)amino]-2-methylpropanoic acid
CID 104648447
3-[2,2-dimethylpropyl(ethyl)amino]-2-methylpropanoic acid
CID 65061319
3-[heptyl(hexyl)amino]-2-methylpropanoic acid
CID 82328811
3-[3-ethoxypropyl(propyl)amino]-2-methylpropanoic acid
CID 82328136
3-chloro-N-ethyl-2-methyl-N-propylbut-3-en-1-amine
CID 123222105
3-[3-acetamidopropyl(propyl)amino]-2-methylpropanoic acid
CID 82328152
3-[2-(2,5-dioxopyrrolidin-1-yl)ethyl-ethylamino]-2-methylpropanoic acid
CID 55123109

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(propyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl(propyl)amino]-2-methylpropanoic acid (CID 43538770) is 3-[ethyl(propyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl(propyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl(propyl)amino]-2-methylpropanoic acid is CCCN(CC)CC(C)C(=O)O.
What is the InChIKey of 3-[ethyl(propyl)amino]-2-methylpropanoic acid?
The InChIKey is JQRLDMXIWWMAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-6-10(5-2)7-8(3)9(11)12/h8H,4-7H2,1-3H3,(H,11,12).
What are the key properties of 3-[ethyl(propyl)amino]-2-methylpropanoic acid?
3-[ethyl(propyl)amino]-2-methylpropanoic acid has a molecular weight of 173.26 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(propyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 43538770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).