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

C7H10Cl2N2O3 — CID 107440589

IUPAC2-[(2-amino-2-oxoethyl)-(2,3-dichloroprop-2-enyl)amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)CC(Cl)=CCl
InChIInChI=1S/C7H10Cl2N2O3/c8-1-5(9)2-11(3-6(10)12)4-7(13)14/h1H,2-4H2,(H2,10,12)(H,13,14)
InChIKeyDABSGTMAUHLUEJ-UHFFFAOYSA-N
MW241.07 g/mol
LogP0.18
Rot. Bonds6

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

2-[(2-amino-2-oxoethyl)-(2,3-dichloroprop-2-enyl)amino]acetic acid (PubChem CID 107440589) has the molecular formula C7H10Cl2N2O3 and a molecular weight of 241.07 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(2,3-dichloroprop-2-enyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(2,3-dichloroprop-2-enyl)amino]acetic acid
PubChem CID107440589
Molecular FormulaC7H10Cl2N2O3
Molecular Weight241.07 g/mol
Exact Mass240.01
IUPAC Name2-[(2-amino-2-oxoethyl)-(2,3-dichloroprop-2-enyl)amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)CC(Cl)=CCl
InChIInChI=1S/C7H10Cl2N2O3/c8-1-5(9)2-11(3-6(10)12)4-7(13)14/h1H,2-4H2,(H2,10,12)(H,13,14)
InChIKeyDABSGTMAUHLUEJ-UHFFFAOYSA-N
XLogP0.18
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.07
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[carboxymethyl(2,3-dichloroprop-2-enyl)amino]acetic acid
CID 79172875
azanium;2-[bis(carboxymethyl)amino]acetic acid;manganese
CID 71301305
2-[bis(carboxymethyl)amino]acetic acid
CID 22440005
CID 160559897
CID 160559897
2-[bis(carboxymethyl)amino]acetic acid;cerium
CID 88686592
CID 23617736
CID 23617736
bis(2-[bis(carboxymethyl)amino]acetic acid);sulfane
CID 87731380
2-[(2-amino-2-oxoethyl)-(3-aminopropyl)amino]acetic acid
CID 107440465
2-[(2-amino-2-oxoethyl)-[(2-chlorophenyl)methyl]amino]acetic acid
CID 107440102
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-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;carbamic acid
CID 146494251

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(2,3-dichloroprop-2-enyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(2,3-dichloroprop-2-enyl)amino]acetic acid (CID 107440589) is 2-[(2-amino-2-oxoethyl)-(2,3-dichloroprop-2-enyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(2,3-dichloroprop-2-enyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(2,3-dichloroprop-2-enyl)amino]acetic acid is NC(=O)CN(CC(=O)O)CC(Cl)=CCl.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(2,3-dichloroprop-2-enyl)amino]acetic acid?
The InChIKey is DABSGTMAUHLUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Cl2N2O3/c8-1-5(9)2-11(3-6(10)12)4-7(13)14/h1H,2-4H2,(H2,10,12)(H,13,14).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(2,3-dichloroprop-2-enyl)amino]acetic acid?
2-[(2-amino-2-oxoethyl)-(2,3-dichloroprop-2-enyl)amino]acetic acid has a molecular weight of 241.07 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(2,3-dichloroprop-2-enyl)amino]acetic acid is sourced from PubChem (CID 107440589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).