2-[bis(carboxymethyl)amino]acetic acid

C12H18N2O12 — CID 22440005

IUPAC2-[bis(carboxymethyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)CC(=O)O.O=C(O)CN(CC(=O)O)CC(=O)O
InChIInChI=1S/2C6H9NO6/c2*8-4(9)1-7(2-5(10)11)3-6(12)13/h2*1-3H2,(H,8,9)(H,10,11)(H,12,13)
InChIKeyGBIBYNIYVUFTIT-UHFFFAOYSA-N
MW382.28 g/mol
LogP-2.92
Rot. Bonds12

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

2-[bis(carboxymethyl)amino]acetic acid (PubChem CID 22440005) has the molecular formula C12H18N2O12 and a molecular weight of 382.28 g/mol. Its IUPAC name is 2-[bis(carboxymethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[bis(carboxymethyl)amino]acetic acid
PubChem CID22440005
Molecular FormulaC12H18N2O12
Molecular Weight382.28 g/mol
Exact Mass382.09
IUPAC Name2-[bis(carboxymethyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)CC(=O)O.O=C(O)CN(CC(=O)O)CC(=O)O
InChIInChI=1S/2C6H9NO6/c2*8-4(9)1-7(2-5(10)11)3-6(12)13/h2*1-3H2,(H,8,9)(H,10,11)(H,12,13)
InChIKeyGBIBYNIYVUFTIT-UHFFFAOYSA-N
XLogP-2.92
TPSA230.28 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.28
LogP ≤ 5-2.92
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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Related Compounds

2-[bis(carboxymethyl)amino]acetic acid;cerium
CID 88686592
CID 160559897
CID 160559897
CID 23617736
CID 23617736
bis(2-[bis(carboxymethyl)amino]acetic acid);sulfane
CID 87731380
azanium;2-[bis(carboxymethyl)amino]acetic acid;manganese
CID 71301305
2-[bis(carboxymethyl)amino]acetic acid;N,N-dimethylmethanamine
CID 88838366
CID 162336121
CID 162336121
azane;2-[bis(hydroxymethyl)amino]acetic acid
CID 87594237
CID 131881711
CID 131881711
azane;2-[[bis(carboxymethyl)amino]methyl-(carboxymethyl)amino]acetic acid
CID 173034412
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;palladium
CID 87646403
azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydrogen peroxide
CID 118382822

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 22440005) 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.O=C(O)CN(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[bis(carboxymethyl)amino]acetic acid?
The InChIKey is GBIBYNIYVUFTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H9NO6/c2*8-4(9)1-7(2-5(10)11)3-6(12)13/h2*1-3H2,(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 382.28 g/mol, XLogP of -2.92, 12 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 22440005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).