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

C8H13Cl2NO2 — CID 79173373

IUPAC2-[2,3-dichloroprop-2-enyl(propan-2-yl)amino]acetic acid
SMILESCC(C)N(CC(=O)O)CC(Cl)=CCl
InChIInChI=1S/C8H13Cl2NO2/c1-6(2)11(5-8(12)13)4-7(10)3-9/h3,6H,4-5H2,1-2H3,(H,12,13)
InChIKeyIFYZJQZOIROHQV-UHFFFAOYSA-N
MW226.10 g/mol
LogP2.10
Rot. Bonds5

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

2-[2,3-dichloroprop-2-enyl(propan-2-yl)amino]acetic acid (PubChem CID 79173373) has the molecular formula C8H13Cl2NO2 and a molecular weight of 226.10 g/mol. Its IUPAC name is 2-[2,3-dichloroprop-2-enyl(propan-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[2,3-dichloroprop-2-enyl(propan-2-yl)amino]acetic acid
PubChem CID79173373
Molecular FormulaC8H13Cl2NO2
Molecular Weight226.10 g/mol
Exact Mass225.03
IUPAC Name2-[2,3-dichloroprop-2-enyl(propan-2-yl)amino]acetic acid
SMILESCC(C)N(CC(=O)O)CC(Cl)=CCl
InChIInChI=1S/C8H13Cl2NO2/c1-6(2)11(5-8(12)13)4-7(10)3-9/h3,6H,4-5H2,1-2H3,(H,12,13)
InChIKeyIFYZJQZOIROHQV-UHFFFAOYSA-N
XLogP2.10
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.10
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dichloroprop-2-enyl(propan-2-yl)amino]acetic acid?
The IUPAC name of 2-[2,3-dichloroprop-2-enyl(propan-2-yl)amino]acetic acid (CID 79173373) is 2-[2,3-dichloroprop-2-enyl(propan-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[2,3-dichloroprop-2-enyl(propan-2-yl)amino]acetic acid?
The canonical SMILES for 2-[2,3-dichloroprop-2-enyl(propan-2-yl)amino]acetic acid is CC(C)N(CC(=O)O)CC(Cl)=CCl.
What is the InChIKey of 2-[2,3-dichloroprop-2-enyl(propan-2-yl)amino]acetic acid?
The InChIKey is IFYZJQZOIROHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Cl2NO2/c1-6(2)11(5-8(12)13)4-7(10)3-9/h3,6H,4-5H2,1-2H3,(H,12,13).
What are the key properties of 2-[2,3-dichloroprop-2-enyl(propan-2-yl)amino]acetic acid?
2-[2,3-dichloroprop-2-enyl(propan-2-yl)amino]acetic acid has a molecular weight of 226.10 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dichloroprop-2-enyl(propan-2-yl)amino]acetic acid is sourced from PubChem (CID 79173373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).