3-[2-carboxyethyl(3-carboxypropyl)amino]-2-methylpropanoic acid

C11H19NO6 — CID 82330638

IUPAC3-[2-carboxyethyl(3-carboxypropyl)amino]-2-methylpropanoic acid
SMILESCC(CN(CCCC(=O)O)CCC(=O)O)C(=O)O
InChIInChI=1S/C11H19NO6/c1-8(11(17)18)7-12(6-4-10(15)16)5-2-3-9(13)14/h8H,2-7H2,1H3,(H,13,14)(H,15,16)(H,17,18)
InChIKeyPYRYXSLUNWTFRL-UHFFFAOYSA-N
MW261.27 g/mol
LogP0.35
Rot. Bonds10

About 3-[2-carboxyethyl(3-carboxypropyl)amino]-2-methylpropanoic acid

3-[2-carboxyethyl(3-carboxypropyl)amino]-2-methylpropanoic acid (PubChem CID 82330638) has the molecular formula C11H19NO6 and a molecular weight of 261.27 g/mol. Its IUPAC name is 3-[2-carboxyethyl(3-carboxypropyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[2-carboxyethyl(3-carboxypropyl)amino]-2-methylpropanoic acid
PubChem CID82330638
Molecular FormulaC11H19NO6
Molecular Weight261.27 g/mol
Exact Mass261.12
IUPAC Name3-[2-carboxyethyl(3-carboxypropyl)amino]-2-methylpropanoic acid
SMILESCC(CN(CCCC(=O)O)CCC(=O)O)C(=O)O
InChIInChI=1S/C11H19NO6/c1-8(11(17)18)7-12(6-4-10(15)16)5-2-3-9(13)14/h8H,2-7H2,1H3,(H,13,14)(H,15,16)(H,17,18)
InChIKeyPYRYXSLUNWTFRL-UHFFFAOYSA-N
XLogP0.35
TPSA115.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-carboxyethyl-[2-(diethylamino)ethyl]amino]-2-methylpropanoic acid
CID 82329266
4-[bis(2-carboxyethyl)amino]butanoic acid
CID 82330594
3-[heptyl(hexyl)amino]-2-methylpropanoic acid
CID 82328811
3-[2-(dimethylamino)ethyl-[3-(dimethylamino)propyl]amino]-2-methylpropanoic acid
CID 82330442
4-[2-carboxyethyl(ethyl)amino]butanoic acid
CID 82330570
3-[2-carboxyethyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-methylpropanoic acid
CID 82327027
3-[carboxymethyl(pentyl)amino]-2-methylpropanoic acid
CID 82328302
3-[3-carboxypropyl(2-ethylbutanoyl)amino]-2-methylpropanoic acid
CID 82323914
3-[3-acetamidopropyl(2-hydroxyethyl)amino]-2-methylpropanoic acid
CID 82329659
6-[2-carboxyethyl(3-carboxypropyl)amino]hexanoic acid
CID 82330595
3-[3-hydroxypropyl(2-methylpropyl)amino]-2-methylpropanoic acid
CID 82330162
3-[3-acetamidopropyl(propyl)amino]-2-methylpropanoic acid
CID 82328152

Frequently Asked Questions

What is the IUPAC name of 3-[2-carboxyethyl(3-carboxypropyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[2-carboxyethyl(3-carboxypropyl)amino]-2-methylpropanoic acid (CID 82330638) is 3-[2-carboxyethyl(3-carboxypropyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[2-carboxyethyl(3-carboxypropyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[2-carboxyethyl(3-carboxypropyl)amino]-2-methylpropanoic acid is CC(CN(CCCC(=O)O)CCC(=O)O)C(=O)O.
What is the InChIKey of 3-[2-carboxyethyl(3-carboxypropyl)amino]-2-methylpropanoic acid?
The InChIKey is PYRYXSLUNWTFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO6/c1-8(11(17)18)7-12(6-4-10(15)16)5-2-3-9(13)14/h8H,2-7H2,1H3,(H,13,14)(H,15,16)(H,17,18).
What are the key properties of 3-[2-carboxyethyl(3-carboxypropyl)amino]-2-methylpropanoic acid?
3-[2-carboxyethyl(3-carboxypropyl)amino]-2-methylpropanoic acid has a molecular weight of 261.27 g/mol, XLogP of 0.35, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-carboxyethyl(3-carboxypropyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 82330638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).