2-[bis(carboxymethyl)amino]acetic acid

C6H9NO6 — CID 8758

IUPAC2-[bis(carboxymethyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)CC(=O)O
InChIInChI=1S/C6H9NO6/c8-4(9)1-7(2-5(10)11)3-6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13)
InChIKeyMGFYIUFZLHCRTH-UHFFFAOYSA-N
MW191.14 g/mol
LogP-1.46
Rot. Bonds6

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

2-[bis(carboxymethyl)amino]acetic acid (PubChem CID 8758) has the molecular formula C6H9NO6 and a molecular weight of 191.14 g/mol. Its IUPAC name is 2-[bis(carboxymethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[bis(carboxymethyl)amino]acetic acid
PubChem CID8758
Molecular FormulaC6H9NO6
Molecular Weight191.14 g/mol
Exact Mass191.04
IUPAC Name2-[bis(carboxymethyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)CC(=O)O
InChIInChI=1S/C6H9NO6/c8-4(9)1-7(2-5(10)11)3-6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13)
InChIKeyMGFYIUFZLHCRTH-UHFFFAOYSA-N
XLogP-1.46
TPSA115.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.14
LogP ≤ 5-1.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Betaine chloride
CID 11545
N,N-Dimethylglycine
CID 673
Ferric nitrilotriacetate
CID 27880
N,N,N-trimethylglycinium
CID 248
Trisodium Nitrilotriacetate
CID 21152
Bicine
CID 8761
Trisodium nitrilotriacetate monohydrate
CID 29194
N,N-Dimethylglycine hydrochloride
CID 75605
Cobaltous nitrilotriacetate
CID 40619
(2-Hydroxyethyl)iminodiacetic acid
CID 7152
Betaine monohydrate
CID 24884197
Cuprate(1-), (N,N-bis((carboxy-kappaO)methyl)glycinato(3-)-kappaN,kappaO)-, hydrogen (1:1), (T-4)-
CID 36938

Frequently Asked Questions

What is the IUPAC name of 2-[bis(carboxymethyl)amino]acetic acid?
The IUPAC name of 2-[bis(carboxymethyl)amino]acetic acid (CID 8758) is 2-[bis(carboxymethyl)amino]acetic acid.
What is the SMILES notation for 2-[bis(carboxymethyl)amino]acetic acid?
The canonical SMILES for 2-[bis(carboxymethyl)amino]acetic acid is O=C(O)CN(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[bis(carboxymethyl)amino]acetic acid?
The InChIKey is MGFYIUFZLHCRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO6/c8-4(9)1-7(2-5(10)11)3-6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13).
What are the key properties of 2-[bis(carboxymethyl)amino]acetic acid?
2-[bis(carboxymethyl)amino]acetic acid has a molecular weight of 191.14 g/mol, XLogP of -1.46, 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]acetic acid is sourced from PubChem (CID 8758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).