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

C8H17N3O4 — CID 15678371

IUPAC2-[2-[carboxymethyl(methylamino)amino]ethyl-methylamino]acetic acid
SMILESCNN(CCN(C)CC(=O)O)CC(=O)O
InChIInChI=1S/C8H17N3O4/c1-9-11(6-8(14)15)4-3-10(2)5-7(12)13/h9H,3-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyYBSAXRUXLOREIT-UHFFFAOYSA-N
MW219.24 g/mol
LogP-1.48
Rot. Bonds8

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

2-[2-[carboxymethyl(methylamino)amino]ethyl-methylamino]acetic acid (PubChem CID 15678371) has the molecular formula C8H17N3O4 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-[2-[carboxymethyl(methylamino)amino]ethyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[2-[carboxymethyl(methylamino)amino]ethyl-methylamino]acetic acid
PubChem CID15678371
Molecular FormulaC8H17N3O4
Molecular Weight219.24 g/mol
Exact Mass219.12
IUPAC Name2-[2-[carboxymethyl(methylamino)amino]ethyl-methylamino]acetic acid
SMILESCNN(CCN(C)CC(=O)O)CC(=O)O
InChIInChI=1S/C8H17N3O4/c1-9-11(6-8(14)15)4-3-10(2)5-7(12)13/h9H,3-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyYBSAXRUXLOREIT-UHFFFAOYSA-N
XLogP-1.48
TPSA93.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[carboxymethyl(methyl)amino]propanoic acid
CID 54557646
ethane;2-[2-hydroxyethyl(methyl)amino]acetic acid
CID 164543067
ethane;2-[methyl(propyl)amino]acetic acid
CID 153373363
2-[methyl(propyl)amino]acetic acid;hydrochloride
CID 50988218
copper;bis(2-[2-hydroxyethyl(methyl)amino]acetic acid)
CID 56841196
2-[methyl(2-methylsulfonylethyl)amino]acetic acid
CID 60915939
2-[2-[1-aminoethyl(methyl)amino]ethyl-methylamino]acetic acid
CID 118237279
2-[2-formamidoethyl(methyl)amino]acetic acid
CID 118297504
2-[bis(methylamino)amino]acetic acid;hydrochloride
CID 158852390
2-[hexyl(methyl)amino]acetic acid
CID 10197909
2-[4-aminobutyl(methyl)amino]acetic acid
CID 144844838
2-[carboxymethyl(methyl)amino]acetic acid;bis(dihydroxy(oxo)phosphanium)
CID 88765663

Frequently Asked Questions

What is the IUPAC name of 2-[2-[carboxymethyl(methylamino)amino]ethyl-methylamino]acetic acid?
The IUPAC name of 2-[2-[carboxymethyl(methylamino)amino]ethyl-methylamino]acetic acid (CID 15678371) is 2-[2-[carboxymethyl(methylamino)amino]ethyl-methylamino]acetic acid.
What is the SMILES notation for 2-[2-[carboxymethyl(methylamino)amino]ethyl-methylamino]acetic acid?
The canonical SMILES for 2-[2-[carboxymethyl(methylamino)amino]ethyl-methylamino]acetic acid is CNN(CCN(C)CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[2-[carboxymethyl(methylamino)amino]ethyl-methylamino]acetic acid?
The InChIKey is YBSAXRUXLOREIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O4/c1-9-11(6-8(14)15)4-3-10(2)5-7(12)13/h9H,3-6H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-[2-[carboxymethyl(methylamino)amino]ethyl-methylamino]acetic acid?
2-[2-[carboxymethyl(methylamino)amino]ethyl-methylamino]acetic acid has a molecular weight of 219.24 g/mol, XLogP of -1.48, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[carboxymethyl(methylamino)amino]ethyl-methylamino]acetic acid is sourced from PubChem (CID 15678371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).