3-[bis(carboxymethyl)amino]propanoic acid

C7H11NO6 — CID 535795

IUPAC3-[bis(carboxymethyl)amino]propanoic acid
SMILESO=C(O)CCN(CC(=O)O)CC(=O)O
InChIInChI=1S/C7H11NO6/c9-5(10)1-2-8(3-6(11)12)4-7(13)14/h1-4H2,(H,9,10)(H,11,12)(H,13,14)
InChIKeyUWRBFYBQPCJRRL-UHFFFAOYSA-N
MW205.17 g/mol
LogP-1.07
Rot. Bonds7

About 3-[bis(carboxymethyl)amino]propanoic acid

3-[bis(carboxymethyl)amino]propanoic acid (PubChem CID 535795) has the molecular formula C7H11NO6 and a molecular weight of 205.17 g/mol. Its IUPAC name is 3-[bis(carboxymethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[bis(carboxymethyl)amino]propanoic acid
PubChem CID535795
Molecular FormulaC7H11NO6
Molecular Weight205.17 g/mol
Exact Mass205.06
IUPAC Name3-[bis(carboxymethyl)amino]propanoic acid
SMILESO=C(O)CCN(CC(=O)O)CC(=O)O
InChIInChI=1S/C7H11NO6/c9-5(10)1-2-8(3-6(11)12)4-7(13)14/h1-4H2,(H,9,10)(H,11,12)(H,13,14)
InChIKeyUWRBFYBQPCJRRL-UHFFFAOYSA-N
XLogP-1.07
TPSA115.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(carboxymethyl)amino]propanoic acid?
The IUPAC name of 3-[bis(carboxymethyl)amino]propanoic acid (CID 535795) is 3-[bis(carboxymethyl)amino]propanoic acid.
What is the SMILES notation for 3-[bis(carboxymethyl)amino]propanoic acid?
The canonical SMILES for 3-[bis(carboxymethyl)amino]propanoic acid is O=C(O)CCN(CC(=O)O)CC(=O)O.
What is the InChIKey of 3-[bis(carboxymethyl)amino]propanoic acid?
The InChIKey is UWRBFYBQPCJRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO6/c9-5(10)1-2-8(3-6(11)12)4-7(13)14/h1-4H2,(H,9,10)(H,11,12)(H,13,14).
What are the key properties of 3-[bis(carboxymethyl)amino]propanoic acid?
3-[bis(carboxymethyl)amino]propanoic acid has a molecular weight of 205.17 g/mol, XLogP of -1.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(carboxymethyl)amino]propanoic acid is sourced from PubChem (CID 535795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).