3-[carboxymethyl-[2-(dipropylamino)-2-oxoethyl]amino]propanoic acid

C13H24N2O5 — CID 82327106

IUPAC3-[carboxymethyl-[2-(dipropylamino)-2-oxoethyl]amino]propanoic acid
SMILESCCCN(CCC)C(=O)CN(CCC(=O)O)CC(=O)O
InChIInChI=1S/C13H24N2O5/c1-3-6-15(7-4-2)11(16)9-14(10-13(19)20)8-5-12(17)18/h3-10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyZPWLNJRRLZPRQK-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.50
Rot. Bonds11

About 3-[carboxymethyl-[2-(dipropylamino)-2-oxoethyl]amino]propanoic acid

3-[carboxymethyl-[2-(dipropylamino)-2-oxoethyl]amino]propanoic acid (PubChem CID 82327106) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is 3-[carboxymethyl-[2-(dipropylamino)-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[carboxymethyl-[2-(dipropylamino)-2-oxoethyl]amino]propanoic acid
PubChem CID82327106
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Name3-[carboxymethyl-[2-(dipropylamino)-2-oxoethyl]amino]propanoic acid
SMILESCCCN(CCC)C(=O)CN(CCC(=O)O)CC(=O)O
InChIInChI=1S/C13H24N2O5/c1-3-6-15(7-4-2)11(16)9-14(10-13(19)20)8-5-12(17)18/h3-10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyZPWLNJRRLZPRQK-UHFFFAOYSA-N
XLogP0.50
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[bis[2-(dipropylamino)-2-oxoethyl]amino]acetic acid
CID 138501380
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-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-(dibutylamino)-2-oxoethyl]amino]ethyl]amino]acetic acid
CID 10278870
3-[carboxymethyl(2-methylprop-2-enyl)amino]propanoic acid
CID 82329721
2-[[4-(dipropylamino)-4-oxobutanoyl]-ethylamino]acetic acid
CID 119206224
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;icosakis(pentanoic acid)
CID 173206314
3-[[2-(dipropylamino)-2-oxoethyl]-propylamino]-2-methylpropanoic acid
CID 82327114
3-[2-[2-carboxyethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]propanoic acid;trihydrate
CID 21478019
3-[ethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid
CID 61009237
2-[2-(dipropylamino)ethyl-propylamino]acetic acid
CID 155392910
ethane;2-[ethyl(propyl)amino]acetic acid
CID 143677754
4-[3-methylpentyl(propyl)amino]-4-oxobutanoic acid
CID 146341512

Frequently Asked Questions

What is the IUPAC name of 3-[carboxymethyl-[2-(dipropylamino)-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 3-[carboxymethyl-[2-(dipropylamino)-2-oxoethyl]amino]propanoic acid (CID 82327106) is 3-[carboxymethyl-[2-(dipropylamino)-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 3-[carboxymethyl-[2-(dipropylamino)-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 3-[carboxymethyl-[2-(dipropylamino)-2-oxoethyl]amino]propanoic acid is CCCN(CCC)C(=O)CN(CCC(=O)O)CC(=O)O.
What is the InChIKey of 3-[carboxymethyl-[2-(dipropylamino)-2-oxoethyl]amino]propanoic acid?
The InChIKey is ZPWLNJRRLZPRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-3-6-15(7-4-2)11(16)9-14(10-13(19)20)8-5-12(17)18/h3-10H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 3-[carboxymethyl-[2-(dipropylamino)-2-oxoethyl]amino]propanoic acid?
3-[carboxymethyl-[2-(dipropylamino)-2-oxoethyl]amino]propanoic acid has a molecular weight of 288.34 g/mol, XLogP of 0.50, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[carboxymethyl-[2-(dipropylamino)-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 82327106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).