2-[[2-[(2,3-dichlorophenyl)methylamino]acetyl]amino]acetic acid

C11H12Cl2N2O3 — CID 82364686

IUPAC2-[[2-[(2,3-dichlorophenyl)methylamino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNCc1cccc(Cl)c1Cl
InChIInChI=1S/C11H12Cl2N2O3/c12-8-3-1-2-7(11(8)13)4-14-5-9(16)15-6-10(17)18/h1-3,14H,4-6H2,(H,15,16)(H,17,18)
InChIKeyJEVLLFDEBIGQAN-UHFFFAOYSA-N
MW291.13 g/mol
LogP1.28
Rot. Bonds6

About 2-[[2-[(2,3-dichlorophenyl)methylamino]acetyl]amino]acetic acid

2-[[2-[(2,3-dichlorophenyl)methylamino]acetyl]amino]acetic acid (PubChem CID 82364686) has the molecular formula C11H12Cl2N2O3 and a molecular weight of 291.13 g/mol. Its IUPAC name is 2-[[2-[(2,3-dichlorophenyl)methylamino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(2,3-dichlorophenyl)methylamino]acetyl]amino]acetic acid
PubChem CID82364686
Molecular FormulaC11H12Cl2N2O3
Molecular Weight291.13 g/mol
Exact Mass290.02
IUPAC Name2-[[2-[(2,3-dichlorophenyl)methylamino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNCc1cccc(Cl)c1Cl
InChIInChI=1S/C11H12Cl2N2O3/c12-8-3-1-2-7(11(8)13)4-14-5-9(16)15-6-10(17)18/h1-3,14H,4-6H2,(H,15,16)(H,17,18)
InChIKeyJEVLLFDEBIGQAN-UHFFFAOYSA-N
XLogP1.28
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.13
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[(3-chloro-2-fluorophenyl)methylamino]acetamide
CID 115695815
methyl N-[(2,3-dichlorophenyl)methyl]carbamate
CID 11673101
2-[(2,3-dichlorophenyl)carbamoylamino]acetic acid
CID 28508177
5-[(2,3-dichlorophenyl)methylamino]-3-methyl-5-oxopentanoic acid
CID 134107047
2-[(2-chlorophenyl)methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 43405213
(E)-4-[(2,3-dichlorophenyl)methylamino]-4-oxobut-2-enoic acid
CID 134114688
2-[(2,6-dichlorophenyl)methylcarbamoylamino]acetic acid
CID 28880664
2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid
CID 108797411
2-[(3-chloro-2-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 115695765
2-[[2-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]acetyl]amino]acetic acid
CID 61414920
N-[(2-chlorophenyl)methyl]-2-[(2-methoxyphenyl)methylamino]acetamide
CID 108998011
2-[(2-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]acetamide
CID 108995200

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2,3-dichlorophenyl)methylamino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(2,3-dichlorophenyl)methylamino]acetyl]amino]acetic acid (CID 82364686) is 2-[[2-[(2,3-dichlorophenyl)methylamino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(2,3-dichlorophenyl)methylamino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(2,3-dichlorophenyl)methylamino]acetyl]amino]acetic acid is O=C(O)CNC(=O)CNCc1cccc(Cl)c1Cl.
What is the InChIKey of 2-[[2-[(2,3-dichlorophenyl)methylamino]acetyl]amino]acetic acid?
The InChIKey is JEVLLFDEBIGQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O3/c12-8-3-1-2-7(11(8)13)4-14-5-9(16)15-6-10(17)18/h1-3,14H,4-6H2,(H,15,16)(H,17,18).
What are the key properties of 2-[[2-[(2,3-dichlorophenyl)methylamino]acetyl]amino]acetic acid?
2-[[2-[(2,3-dichlorophenyl)methylamino]acetyl]amino]acetic acid has a molecular weight of 291.13 g/mol, XLogP of 1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2,3-dichlorophenyl)methylamino]acetyl]amino]acetic acid is sourced from PubChem (CID 82364686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).