2-[2-bromoethyl(carboxymethyl)amino]acetic acid

C6H10BrNO4 — CID 23228094

IUPAC2-[2-bromoethyl(carboxymethyl)amino]acetic acid
SMILESO=C(O)CN(CCBr)CC(=O)O
InChIInChI=1S/C6H10BrNO4/c7-1-2-8(3-5(9)10)4-6(11)12/h1-4H2,(H,9,10)(H,11,12)
InChIKeyNNOZQHPINMCNOK-UHFFFAOYSA-N
MW240.05 g/mol
LogP-0.15
Rot. Bonds6

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

2-[2-bromoethyl(carboxymethyl)amino]acetic acid (PubChem CID 23228094) has the molecular formula C6H10BrNO4 and a molecular weight of 240.05 g/mol. Its IUPAC name is 2-[2-bromoethyl(carboxymethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-bromoethyl(carboxymethyl)amino]acetic acid
PubChem CID23228094
Molecular FormulaC6H10BrNO4
Molecular Weight240.05 g/mol
Exact Mass238.98
IUPAC Name2-[2-bromoethyl(carboxymethyl)amino]acetic acid
SMILESO=C(O)CN(CCBr)CC(=O)O
InChIInChI=1S/C6H10BrNO4/c7-1-2-8(3-5(9)10)4-6(11)12/h1-4H2,(H,9,10)(H,11,12)
InChIKeyNNOZQHPINMCNOK-UHFFFAOYSA-N
XLogP-0.15
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.05
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

CID 131881711
CID 131881711
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
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;chromium(2+)
CID 21278558
dilithium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
CID 10149598
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;yttrium(3+)
CID 23618997
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;lanthanum(3+)
CID 10230281
lithium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydrate
CID 56942126
Ca-DTPA
CID 86735184
diazanium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;dibromide
CID 172753186
Pentasodium (carboxymethylimino)bis(ethylene-nitrilo)tetraacetic acid
CID 131710950
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;iron;manganese
CID 170943983

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromoethyl(carboxymethyl)amino]acetic acid?
The IUPAC name of 2-[2-bromoethyl(carboxymethyl)amino]acetic acid (CID 23228094) is 2-[2-bromoethyl(carboxymethyl)amino]acetic acid.
What is the SMILES notation for 2-[2-bromoethyl(carboxymethyl)amino]acetic acid?
The canonical SMILES for 2-[2-bromoethyl(carboxymethyl)amino]acetic acid is O=C(O)CN(CCBr)CC(=O)O.
What is the InChIKey of 2-[2-bromoethyl(carboxymethyl)amino]acetic acid?
The InChIKey is NNOZQHPINMCNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrNO4/c7-1-2-8(3-5(9)10)4-6(11)12/h1-4H2,(H,9,10)(H,11,12).
What are the key properties of 2-[2-bromoethyl(carboxymethyl)amino]acetic acid?
2-[2-bromoethyl(carboxymethyl)amino]acetic acid has a molecular weight of 240.05 g/mol, XLogP of -0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromoethyl(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 23228094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).