2-[bis(carboxymethyl)amino]-3-hydroxy-2-(hydroxymethyl)propanoic acid

C8H13NO8 — CID 14832601

IUPAC2-[bis(carboxymethyl)amino]-3-hydroxy-2-(hydroxymethyl)propanoic acid
SMILESO=C(O)CN(CC(=O)O)C(CO)(CO)C(=O)O
InChIInChI=1S/C8H13NO8/c10-3-8(4-11,7(16)17)9(1-5(12)13)2-6(14)15/h10-11H,1-4H2,(H,12,13)(H,14,15)(H,16,17)
InChIKeyPEACDTYWBYKPDG-UHFFFAOYSA-N
MW251.19 g/mol
LogP-2.73
Rot. Bonds8

About 2-[bis(carboxymethyl)amino]-3-hydroxy-2-(hydroxymethyl)propanoic acid

2-[bis(carboxymethyl)amino]-3-hydroxy-2-(hydroxymethyl)propanoic acid (PubChem CID 14832601) has the molecular formula C8H13NO8 and a molecular weight of 251.19 g/mol. Its IUPAC name is 2-[bis(carboxymethyl)amino]-3-hydroxy-2-(hydroxymethyl)propanoic acid.

Molecular Properties

Compound Name2-[bis(carboxymethyl)amino]-3-hydroxy-2-(hydroxymethyl)propanoic acid
PubChem CID14832601
Molecular FormulaC8H13NO8
Molecular Weight251.19 g/mol
Exact Mass251.06
IUPAC Name2-[bis(carboxymethyl)amino]-3-hydroxy-2-(hydroxymethyl)propanoic acid
SMILESO=C(O)CN(CC(=O)O)C(CO)(CO)C(=O)O
InChIInChI=1S/C8H13NO8/c10-3-8(4-11,7(16)17)9(1-5(12)13)2-6(14)15/h10-11H,1-4H2,(H,12,13)(H,14,15)(H,16,17)
InChIKeyPEACDTYWBYKPDG-UHFFFAOYSA-N
XLogP-2.73
TPSA155.60 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.19
LogP ≤ 5-2.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(carboxymethyl)amino]-3-hydroxy-2-(hydroxymethyl)propanoic acid?
The IUPAC name of 2-[bis(carboxymethyl)amino]-3-hydroxy-2-(hydroxymethyl)propanoic acid (CID 14832601) is 2-[bis(carboxymethyl)amino]-3-hydroxy-2-(hydroxymethyl)propanoic acid.
What is the SMILES notation for 2-[bis(carboxymethyl)amino]-3-hydroxy-2-(hydroxymethyl)propanoic acid?
The canonical SMILES for 2-[bis(carboxymethyl)amino]-3-hydroxy-2-(hydroxymethyl)propanoic acid is O=C(O)CN(CC(=O)O)C(CO)(CO)C(=O)O.
What is the InChIKey of 2-[bis(carboxymethyl)amino]-3-hydroxy-2-(hydroxymethyl)propanoic acid?
The InChIKey is PEACDTYWBYKPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO8/c10-3-8(4-11,7(16)17)9(1-5(12)13)2-6(14)15/h10-11H,1-4H2,(H,12,13)(H,14,15)(H,16,17).
What are the key properties of 2-[bis(carboxymethyl)amino]-3-hydroxy-2-(hydroxymethyl)propanoic acid?
2-[bis(carboxymethyl)amino]-3-hydroxy-2-(hydroxymethyl)propanoic acid has a molecular weight of 251.19 g/mol, XLogP of -2.73, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(carboxymethyl)amino]-3-hydroxy-2-(hydroxymethyl)propanoic acid is sourced from PubChem (CID 14832601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).