2-[carboxymethyl(2,3-dichloroprop-2-enyl)amino]acetic acid

C7H9Cl2NO4 — CID 79172875

IUPAC2-[carboxymethyl(2,3-dichloroprop-2-enyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)CC(Cl)=CCl
InChIInChI=1S/C7H9Cl2NO4/c8-1-5(9)2-10(3-6(11)12)4-7(13)14/h1H,2-4H2,(H,11,12)(H,13,14)
InChIKeyYOGXMDOVZYELTA-UHFFFAOYSA-N
MW242.06 g/mol
LogP0.78
Rot. Bonds6

About 2-[carboxymethyl(2,3-dichloroprop-2-enyl)amino]acetic acid

2-[carboxymethyl(2,3-dichloroprop-2-enyl)amino]acetic acid (PubChem CID 79172875) has the molecular formula C7H9Cl2NO4 and a molecular weight of 242.06 g/mol. Its IUPAC name is 2-[carboxymethyl(2,3-dichloroprop-2-enyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(2,3-dichloroprop-2-enyl)amino]acetic acid
PubChem CID79172875
Molecular FormulaC7H9Cl2NO4
Molecular Weight242.06 g/mol
Exact Mass240.99
IUPAC Name2-[carboxymethyl(2,3-dichloroprop-2-enyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)CC(Cl)=CCl
InChIInChI=1S/C7H9Cl2NO4/c8-1-5(9)2-10(3-6(11)12)4-7(13)14/h1H,2-4H2,(H,11,12)(H,13,14)
InChIKeyYOGXMDOVZYELTA-UHFFFAOYSA-N
XLogP0.78
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.06
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[carboxymethyl(2,3-dichloroprop-2-enyl)amino]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-[(2-amino-2-oxoethyl)-(2,3-dichloroprop-2-enyl)amino]acetic acid
CID 107440589
azanium;2-[bis(carboxymethyl)amino]acetic acid;manganese
CID 71301305
2-[bis(carboxymethyl)amino]acetic acid
CID 22440005
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
3-[2,3-dichloroprop-2-enyl(methyl)amino]propanoic acid
CID 79173884
2-[N-(2,3-dichloroprop-2-enyl)anilino]acetic acid
CID 79173270
2-[bis(carboxymethyl)amino]acetic acid;N,N-dimethylmethanamine
CID 88838366
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;iron;manganese
CID 170943983
2-[bis(carboxymethyl)amino]acetate;2-[carboxylatomethyl(carboxymethyl)amino]acetate;gadolinium(2+);hydrate
CID 6394562

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(2,3-dichloroprop-2-enyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(2,3-dichloroprop-2-enyl)amino]acetic acid (CID 79172875) is 2-[carboxymethyl(2,3-dichloroprop-2-enyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(2,3-dichloroprop-2-enyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(2,3-dichloroprop-2-enyl)amino]acetic acid is O=C(O)CN(CC(=O)O)CC(Cl)=CCl.
What is the InChIKey of 2-[carboxymethyl(2,3-dichloroprop-2-enyl)amino]acetic acid?
The InChIKey is YOGXMDOVZYELTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl2NO4/c8-1-5(9)2-10(3-6(11)12)4-7(13)14/h1H,2-4H2,(H,11,12)(H,13,14).
What are the key properties of 2-[carboxymethyl(2,3-dichloroprop-2-enyl)amino]acetic acid?
2-[carboxymethyl(2,3-dichloroprop-2-enyl)amino]acetic acid has a molecular weight of 242.06 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(2,3-dichloroprop-2-enyl)amino]acetic acid is sourced from PubChem (CID 79172875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).