2-[[2-(2,6-dichlorophenyl)acetyl]-[2-(dimethylamino)ethyl]amino]acetic acid

C14H18Cl2N2O3 — CID 103802737

IUPAC2-[[2-(2,6-dichlorophenyl)acetyl]-[2-(dimethylamino)ethyl]amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)C(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C14H18Cl2N2O3/c1-17(2)6-7-18(9-14(20)21)13(19)8-10-11(15)4-3-5-12(10)16/h3-5H,6-9H2,1-2H3,(H,20,21)
InChIKeySANPRMBAWQNXJE-UHFFFAOYSA-N
MW333.21 g/mol
LogP2.01
Rot. Bonds7

About 2-[[2-(2,6-dichlorophenyl)acetyl]-[2-(dimethylamino)ethyl]amino]acetic acid

2-[[2-(2,6-dichlorophenyl)acetyl]-[2-(dimethylamino)ethyl]amino]acetic acid (PubChem CID 103802737) has the molecular formula C14H18Cl2N2O3 and a molecular weight of 333.21 g/mol. Its IUPAC name is 2-[[2-(2,6-dichlorophenyl)acetyl]-[2-(dimethylamino)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2,6-dichlorophenyl)acetyl]-[2-(dimethylamino)ethyl]amino]acetic acid
PubChem CID103802737
Molecular FormulaC14H18Cl2N2O3
Molecular Weight333.21 g/mol
Exact Mass332.07
IUPAC Name2-[[2-(2,6-dichlorophenyl)acetyl]-[2-(dimethylamino)ethyl]amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)C(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C14H18Cl2N2O3/c1-17(2)6-7-18(9-14(20)21)13(19)8-10-11(15)4-3-5-12(10)16/h3-5H,6-9H2,1-2H3,(H,20,21)
InChIKeySANPRMBAWQNXJE-UHFFFAOYSA-N
XLogP2.01
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.21
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(dimethylamino)ethyl-(2-pyridin-2-ylacetyl)amino]acetic acid
CID 107424052
2-[[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-[2-(dimethylamino)ethyl]amino]acetic acid
CID 91831210
2-[2-(dimethylamino)ethyl-[3-(dimethylamino)propanoyl]amino]acetic acid
CID 107423497
2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid
CID 119346810
2-[(3-bromo-2-chlorobenzoyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107423704
2-[2-(dimethylamino)ethyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid
CID 103802828
2-[[2-(1,3-benzodioxol-5-yl)acetyl]-[2-(dimethylamino)ethyl]amino]acetic acid
CID 119346796
1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-methylbutan-2-one
CID 79046022
3-[(2-chlorobenzoyl)-[2-(dimethylamino)ethyl]amino]propanoic acid
CID 82325321
2-(2,6-dichlorophenyl)-N-(2,3-dimethylphenyl)-N-methylacetamide
CID 52705078
2-[butanoyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103802903
2-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)-N-phenylacetamide
CID 136576474

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dichlorophenyl)acetyl]-[2-(dimethylamino)ethyl]amino]acetic acid?
The IUPAC name of 2-[[2-(2,6-dichlorophenyl)acetyl]-[2-(dimethylamino)ethyl]amino]acetic acid (CID 103802737) is 2-[[2-(2,6-dichlorophenyl)acetyl]-[2-(dimethylamino)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(2,6-dichlorophenyl)acetyl]-[2-(dimethylamino)ethyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(2,6-dichlorophenyl)acetyl]-[2-(dimethylamino)ethyl]amino]acetic acid is CN(C)CCN(CC(=O)O)C(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[[2-(2,6-dichlorophenyl)acetyl]-[2-(dimethylamino)ethyl]amino]acetic acid?
The InChIKey is SANPRMBAWQNXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O3/c1-17(2)6-7-18(9-14(20)21)13(19)8-10-11(15)4-3-5-12(10)16/h3-5H,6-9H2,1-2H3,(H,20,21).
What are the key properties of 2-[[2-(2,6-dichlorophenyl)acetyl]-[2-(dimethylamino)ethyl]amino]acetic acid?
2-[[2-(2,6-dichlorophenyl)acetyl]-[2-(dimethylamino)ethyl]amino]acetic acid has a molecular weight of 333.21 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-dichlorophenyl)acetyl]-[2-(dimethylamino)ethyl]amino]acetic acid is sourced from PubChem (CID 103802737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).