2-[bis(carboxymethyl)amino]-2-methylpropanoic acid

C8H13NO6 — CID 3082043

IUPAC2-[bis(carboxymethyl)amino]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C8H13NO6/c1-8(2,7(14)15)9(3-5(10)11)4-6(12)13/h3-4H2,1-2H3,(H,10,11)(H,12,13)(H,14,15)
InChIKeyUVMCNVFTUUUKPR-UHFFFAOYSA-N
MW219.19 g/mol
LogP-0.68
Rot. Bonds6

About 2-[bis(carboxymethyl)amino]-2-methylpropanoic acid

2-[bis(carboxymethyl)amino]-2-methylpropanoic acid (PubChem CID 3082043) has the molecular formula C8H13NO6 and a molecular weight of 219.19 g/mol. Its IUPAC name is 2-[bis(carboxymethyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[bis(carboxymethyl)amino]-2-methylpropanoic acid
PubChem CID3082043
Molecular FormulaC8H13NO6
Molecular Weight219.19 g/mol
Exact Mass219.07
IUPAC Name2-[bis(carboxymethyl)amino]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C8H13NO6/c1-8(2,7(14)15)9(3-5(10)11)4-6(12)13/h3-4H2,1-2H3,(H,10,11)(H,12,13)(H,14,15)
InChIKeyUVMCNVFTUUUKPR-UHFFFAOYSA-N
XLogP-0.68
TPSA115.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(carboxymethyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[bis(carboxymethyl)amino]-2-methylpropanoic acid (CID 3082043) is 2-[bis(carboxymethyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[bis(carboxymethyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[bis(carboxymethyl)amino]-2-methylpropanoic acid is CC(C)(C(=O)O)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[bis(carboxymethyl)amino]-2-methylpropanoic acid?
The InChIKey is UVMCNVFTUUUKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO6/c1-8(2,7(14)15)9(3-5(10)11)4-6(12)13/h3-4H2,1-2H3,(H,10,11)(H,12,13)(H,14,15).
What are the key properties of 2-[bis(carboxymethyl)amino]-2-methylpropanoic acid?
2-[bis(carboxymethyl)amino]-2-methylpropanoic acid has a molecular weight of 219.19 g/mol, XLogP of -0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(carboxymethyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 3082043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).