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

C7H12N2O6 — CID 88607946

IUPAC2-[bis(carboxymethyl)amino]-2-(methylamino)acetic acid
SMILESCNC(C(=O)O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C7H12N2O6/c1-8-6(7(14)15)9(2-4(10)11)3-5(12)13/h6,8H,2-3H2,1H3,(H,10,11)(H,12,13)(H,14,15)
InChIKeyLKAYLEGVPCUZNT-UHFFFAOYSA-N
MW220.18 g/mol
LogP-1.91
Rot. Bonds7

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

2-[bis(carboxymethyl)amino]-2-(methylamino)acetic acid (PubChem CID 88607946) has the molecular formula C7H12N2O6 and a molecular weight of 220.18 g/mol. Its IUPAC name is 2-[bis(carboxymethyl)amino]-2-(methylamino)acetic acid.

Molecular Properties

Compound Name2-[bis(carboxymethyl)amino]-2-(methylamino)acetic acid
PubChem CID88607946
Molecular FormulaC7H12N2O6
Molecular Weight220.18 g/mol
Exact Mass220.07
IUPAC Name2-[bis(carboxymethyl)amino]-2-(methylamino)acetic acid
SMILESCNC(C(=O)O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C7H12N2O6/c1-8-6(7(14)15)9(2-4(10)11)3-5(12)13/h6,8H,2-3H2,1H3,(H,10,11)(H,12,13)(H,14,15)
InChIKeyLKAYLEGVPCUZNT-UHFFFAOYSA-N
XLogP-1.91
TPSA127.17 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 5-1.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[bis(carboxymethyl)amino]-2-(methylamino)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[carboxymethyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 63646159
(2S)-2-[bis(carboxymethyl)amino]butanoic acid
CID 18664115
2-[bis(carboxymethyl)amino]butanoic acid
CID 22935674
2-[bis(carboxymethyl)amino]-3-methylbutanoic acid
CID 23422375
2-[bis(methylamino)amino]acetic acid;hydrochloride
CID 158852390
2-[[1-(methylamino)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetic acid
CID 63065911
2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]propanoic acid
CID 122536186
2-[methyl-[2-(methylamino)propanoyl]amino]acetic acid
CID 62638787
2-[3-[bis(carboxymethyl)amino]butan-2-yl-(carboxymethyl)amino]acetic acid;butane-2,3-diamine
CID 23020639
calcium;magnesium;2-[carboxymethyl(1-hydroxyethyl)amino]acetic acid;hydride
CID 173019440
trisodium;(2S)-2-[bis(carboxymethyl)amino]-3-hydroxypropanoic acid
CID 91979731
2-[2-[2-[1-carboxyethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]propanoic acid
CID 19033802

Frequently Asked Questions

What is the IUPAC name of 2-[bis(carboxymethyl)amino]-2-(methylamino)acetic acid?
The IUPAC name of 2-[bis(carboxymethyl)amino]-2-(methylamino)acetic acid (CID 88607946) is 2-[bis(carboxymethyl)amino]-2-(methylamino)acetic acid.
What is the SMILES notation for 2-[bis(carboxymethyl)amino]-2-(methylamino)acetic acid?
The canonical SMILES for 2-[bis(carboxymethyl)amino]-2-(methylamino)acetic acid is CNC(C(=O)O)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[bis(carboxymethyl)amino]-2-(methylamino)acetic acid?
The InChIKey is LKAYLEGVPCUZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O6/c1-8-6(7(14)15)9(2-4(10)11)3-5(12)13/h6,8H,2-3H2,1H3,(H,10,11)(H,12,13)(H,14,15).
What are the key properties of 2-[bis(carboxymethyl)amino]-2-(methylamino)acetic acid?
2-[bis(carboxymethyl)amino]-2-(methylamino)acetic acid has a molecular weight of 220.18 g/mol, XLogP of -1.91, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(carboxymethyl)amino]-2-(methylamino)acetic acid is sourced from PubChem (CID 88607946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).