2-[[4-(dipropylamino)-4-oxobutanoyl]-ethylamino]acetic acid

C14H26N2O4 — CID 119206224

IUPAC2-[[4-(dipropylamino)-4-oxobutanoyl]-ethylamino]acetic acid
SMILESCCCN(CCC)C(=O)CCC(=O)N(CC)CC(=O)O
InChIInChI=1S/C14H26N2O4/c1-4-9-16(10-5-2)13(18)8-7-12(17)15(6-3)11-14(19)20/h4-11H2,1-3H3,(H,19,20)
InChIKeyWFRXVLAEVBTPBV-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.35
Rot. Bonds10

About 2-[[4-(dipropylamino)-4-oxobutanoyl]-ethylamino]acetic acid

2-[[4-(dipropylamino)-4-oxobutanoyl]-ethylamino]acetic acid (PubChem CID 119206224) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[[4-(dipropylamino)-4-oxobutanoyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-(dipropylamino)-4-oxobutanoyl]-ethylamino]acetic acid
PubChem CID119206224
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[[4-(dipropylamino)-4-oxobutanoyl]-ethylamino]acetic acid
SMILESCCCN(CCC)C(=O)CCC(=O)N(CC)CC(=O)O
InChIInChI=1S/C14H26N2O4/c1-4-9-16(10-5-2)13(18)8-7-12(17)15(6-3)11-14(19)20/h4-11H2,1-3H3,(H,19,20)
InChIKeyWFRXVLAEVBTPBV-UHFFFAOYSA-N
XLogP1.35
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(pentadecanoyl)amino]acetic acid
CID 139609701
2-[ethyl(hexadecanoyl)amino]acetic acid
CID 86170642
2-[propyl(tridecanoyl)amino]acetic acid
CID 139609682
2-[bis[2-(dipropylamino)-2-oxoethyl]amino]acetic acid
CID 138501380
2-[butanoyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103802903
2-[3-ethylsulfanylpropanoyl(propyl)amino]acetic acid
CID 115730606
2-[acetyl(propyl)amino]acetic acid
CID 23279438
3-[carboxymethyl-[2-(dipropylamino)-2-oxoethyl]amino]propanoic acid
CID 82327106
2-[ethyl(3-methylsulfonylpropanoyl)amino]acetic acid
CID 61021269
4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid
CID 54916205
2-[[ethyl(propyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79272261
2-[ethyl(4-fluoroheptanoyl)amino]acetic acid
CID 101279726

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dipropylamino)-4-oxobutanoyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[4-(dipropylamino)-4-oxobutanoyl]-ethylamino]acetic acid (CID 119206224) is 2-[[4-(dipropylamino)-4-oxobutanoyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[4-(dipropylamino)-4-oxobutanoyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[4-(dipropylamino)-4-oxobutanoyl]-ethylamino]acetic acid is CCCN(CCC)C(=O)CCC(=O)N(CC)CC(=O)O.
What is the InChIKey of 2-[[4-(dipropylamino)-4-oxobutanoyl]-ethylamino]acetic acid?
The InChIKey is WFRXVLAEVBTPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-4-9-16(10-5-2)13(18)8-7-12(17)15(6-3)11-14(19)20/h4-11H2,1-3H3,(H,19,20).
What are the key properties of 2-[[4-(dipropylamino)-4-oxobutanoyl]-ethylamino]acetic acid?
2-[[4-(dipropylamino)-4-oxobutanoyl]-ethylamino]acetic acid has a molecular weight of 286.37 g/mol, XLogP of 1.35, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dipropylamino)-4-oxobutanoyl]-ethylamino]acetic acid is sourced from PubChem (CID 119206224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).