3-[[2-(dipropylamino)-2-oxoethyl]-propylamino]-2-methylpropanoic acid

C15H30N2O3 — CID 82327114

IUPAC3-[[2-(dipropylamino)-2-oxoethyl]-propylamino]-2-methylpropanoic acid
SMILESCCCN(CC(=O)N(CCC)CCC)CC(C)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-5-8-16(11-13(4)15(19)20)12-14(18)17(9-6-2)10-7-3/h13H,5-12H2,1-4H3,(H,19,20)
InChIKeyJFLZAMQXPYIOSK-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.07
Rot. Bonds11

About 3-[[2-(dipropylamino)-2-oxoethyl]-propylamino]-2-methylpropanoic acid

3-[[2-(dipropylamino)-2-oxoethyl]-propylamino]-2-methylpropanoic acid (PubChem CID 82327114) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-[[2-(dipropylamino)-2-oxoethyl]-propylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(dipropylamino)-2-oxoethyl]-propylamino]-2-methylpropanoic acid
PubChem CID82327114
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name3-[[2-(dipropylamino)-2-oxoethyl]-propylamino]-2-methylpropanoic acid
SMILESCCCN(CC(=O)N(CCC)CCC)CC(C)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-5-8-16(11-13(4)15(19)20)12-14(18)17(9-6-2)10-7-3/h13H,5-12H2,1-4H3,(H,19,20)
InChIKeyJFLZAMQXPYIOSK-UHFFFAOYSA-N
XLogP2.07
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl(propyl)amino]-2-methylpropanoic acid
CID 43538770
3-[[2-(diethylamino)-2-oxoethyl]-(2-methylpropyl)amino]-2-methylpropanoic acid
CID 82327090
2-[bis[2-(dipropylamino)-2-oxoethyl]amino]acetic acid
CID 138501380
3-[carboxymethyl(pentyl)amino]-2-methylpropanoic acid
CID 82328302
3-[3-ethoxypropyl(propyl)amino]-2-methylpropanoic acid
CID 82328136
3-[carboxymethyl-[2-(dipropylamino)-2-oxoethyl]amino]propanoic acid
CID 82327106
2-[2-hydroxypropyl(methyl)amino]-N,N-dipropylacetamide
CID 62334661
3-[heptyl(hexyl)amino]-2-methylpropanoic acid
CID 82328811
2-[1-hydroxypropan-2-yl(methyl)amino]-N,N-dipropylacetamide
CID 115772259
2-[2-[[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl]-(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-[2-hydroxyethyl(propyl)amino]-2-oxoethyl]amino]ethyl]amino]acetic acid
CID 59126070
2-methyl-3-[3-methylbutyl(2-oxopropyl)amino]propanoic acid
CID 82329209
3-[3-acetamidopropyl(propyl)amino]-2-methylpropanoic acid
CID 82328152

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dipropylamino)-2-oxoethyl]-propylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[[2-(dipropylamino)-2-oxoethyl]-propylamino]-2-methylpropanoic acid (CID 82327114) is 3-[[2-(dipropylamino)-2-oxoethyl]-propylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[2-(dipropylamino)-2-oxoethyl]-propylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[2-(dipropylamino)-2-oxoethyl]-propylamino]-2-methylpropanoic acid is CCCN(CC(=O)N(CCC)CCC)CC(C)C(=O)O.
What is the InChIKey of 3-[[2-(dipropylamino)-2-oxoethyl]-propylamino]-2-methylpropanoic acid?
The InChIKey is JFLZAMQXPYIOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-5-8-16(11-13(4)15(19)20)12-14(18)17(9-6-2)10-7-3/h13H,5-12H2,1-4H3,(H,19,20).
What are the key properties of 3-[[2-(dipropylamino)-2-oxoethyl]-propylamino]-2-methylpropanoic acid?
3-[[2-(dipropylamino)-2-oxoethyl]-propylamino]-2-methylpropanoic acid has a molecular weight of 286.42 g/mol, XLogP of 2.07, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dipropylamino)-2-oxoethyl]-propylamino]-2-methylpropanoic acid is sourced from PubChem (CID 82327114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).