4-[bis(carboxymethyl)amino]-2-(carboxymethylamino)butanoic acid

C10H16N2O8 — CID 87394782

IUPAC4-[bis(carboxymethyl)amino]-2-(carboxymethylamino)butanoic acid
SMILESO=C(O)CNC(CCN(CC(=O)O)CC(=O)O)C(=O)O
InChIInChI=1S/C10H16N2O8/c13-7(14)3-11-6(10(19)20)1-2-12(4-8(15)16)5-9(17)18/h6,11H,1-5H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
InChIKeyCKXPTNOOJVQNFA-UHFFFAOYSA-N
MW292.24 g/mol
LogP-2.02
Rot. Bonds11

About 4-[bis(carboxymethyl)amino]-2-(carboxymethylamino)butanoic acid

4-[bis(carboxymethyl)amino]-2-(carboxymethylamino)butanoic acid (PubChem CID 87394782) has the molecular formula C10H16N2O8 and a molecular weight of 292.24 g/mol. Its IUPAC name is 4-[bis(carboxymethyl)amino]-2-(carboxymethylamino)butanoic acid.

Molecular Properties

Compound Name4-[bis(carboxymethyl)amino]-2-(carboxymethylamino)butanoic acid
PubChem CID87394782
Molecular FormulaC10H16N2O8
Molecular Weight292.24 g/mol
Exact Mass292.09
IUPAC Name4-[bis(carboxymethyl)amino]-2-(carboxymethylamino)butanoic acid
SMILESO=C(O)CNC(CCN(CC(=O)O)CC(=O)O)C(=O)O
InChIInChI=1S/C10H16N2O8/c13-7(14)3-11-6(10(19)20)1-2-12(4-8(15)16)5-9(17)18/h6,11H,1-5H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
InChIKeyCKXPTNOOJVQNFA-UHFFFAOYSA-N
XLogP-2.02
TPSA164.47 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 5-2.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[bis(carboxymethyl)amino]-2-(carboxymethylamino)butanoic acid?
The IUPAC name of 4-[bis(carboxymethyl)amino]-2-(carboxymethylamino)butanoic acid (CID 87394782) is 4-[bis(carboxymethyl)amino]-2-(carboxymethylamino)butanoic acid.
What is the SMILES notation for 4-[bis(carboxymethyl)amino]-2-(carboxymethylamino)butanoic acid?
The canonical SMILES for 4-[bis(carboxymethyl)amino]-2-(carboxymethylamino)butanoic acid is O=C(O)CNC(CCN(CC(=O)O)CC(=O)O)C(=O)O.
What is the InChIKey of 4-[bis(carboxymethyl)amino]-2-(carboxymethylamino)butanoic acid?
The InChIKey is CKXPTNOOJVQNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O8/c13-7(14)3-11-6(10(19)20)1-2-12(4-8(15)16)5-9(17)18/h6,11H,1-5H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20).
What are the key properties of 4-[bis(carboxymethyl)amino]-2-(carboxymethylamino)butanoic acid?
4-[bis(carboxymethyl)amino]-2-(carboxymethylamino)butanoic acid has a molecular weight of 292.24 g/mol, XLogP of -2.02, 11 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(carboxymethyl)amino]-2-(carboxymethylamino)butanoic acid is sourced from PubChem (CID 87394782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).