2-[carboxymethyl-[(2,4-dichlorophenyl)methyl]amino]acetic acid

C11H11Cl2NO4 — CID 55246702

IUPAC2-[carboxymethyl-[(2,4-dichlorophenyl)methyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl2NO4/c12-8-2-1-7(9(13)3-8)4-14(5-10(15)16)6-11(17)18/h1-3H,4-6H2,(H,15,16)(H,17,18)
InChIKeyOWRUCUXDRFXYTQ-UHFFFAOYSA-N
MW292.12 g/mol
LogP1.96
Rot. Bonds6

About 2-[carboxymethyl-[(2,4-dichlorophenyl)methyl]amino]acetic acid

2-[carboxymethyl-[(2,4-dichlorophenyl)methyl]amino]acetic acid (PubChem CID 55246702) has the molecular formula C11H11Cl2NO4 and a molecular weight of 292.12 g/mol. Its IUPAC name is 2-[carboxymethyl-[(2,4-dichlorophenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[(2,4-dichlorophenyl)methyl]amino]acetic acid
PubChem CID55246702
Molecular FormulaC11H11Cl2NO4
Molecular Weight292.12 g/mol
Exact Mass291.01
IUPAC Name2-[carboxymethyl-[(2,4-dichlorophenyl)methyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl2NO4/c12-8-2-1-7(9(13)3-8)4-14(5-10(15)16)6-11(17)18/h1-3H,4-6H2,(H,15,16)(H,17,18)
InChIKeyOWRUCUXDRFXYTQ-UHFFFAOYSA-N
XLogP1.96
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[carboxymethyl-[(5-chloro-2-fluorophenyl)methyl]amino]acetic acid
CID 114866921
2-[(2-amino-2-oxoethyl)-[(2-chloro-4-methylphenyl)methyl]amino]acetic acid
CID 107440608
2-[(2,4-dichlorophenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 35268423
N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 19862165
2-[(2-bromo-4-chlorophenyl)methyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107426116
N-[(2,4-dichlorophenyl)methyl]-N-prop-2-enylprop-2-en-1-amine
CID 3936376
N-[(2,4-dichlorophenyl)methyl]-N-propylpropan-1-amine
CID 117059460
2-[(4-carbamoyl-2-chlorophenyl)methyl-prop-2-enylamino]acetic acid
CID 102669043
3-[N-[(2,4-dichlorophenyl)methyl]anilino]propanoic acid
CID 60839245
2-[(2,4-dichlorophenyl)methyl-methylamino]propanoic acid
CID 62638137
2-[carboxymethyl-[(2,4-difluorophenyl)methyl]amino]acetic acid
CID 63645803
N-bromo-N-[(2,4-dichlorophenyl)methyl]benzamide
CID 87870430

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[(2,4-dichlorophenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[(2,4-dichlorophenyl)methyl]amino]acetic acid (CID 55246702) is 2-[carboxymethyl-[(2,4-dichlorophenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[(2,4-dichlorophenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[(2,4-dichlorophenyl)methyl]amino]acetic acid is O=C(O)CN(CC(=O)O)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[carboxymethyl-[(2,4-dichlorophenyl)methyl]amino]acetic acid?
The InChIKey is OWRUCUXDRFXYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO4/c12-8-2-1-7(9(13)3-8)4-14(5-10(15)16)6-11(17)18/h1-3H,4-6H2,(H,15,16)(H,17,18).
What are the key properties of 2-[carboxymethyl-[(2,4-dichlorophenyl)methyl]amino]acetic acid?
2-[carboxymethyl-[(2,4-dichlorophenyl)methyl]amino]acetic acid has a molecular weight of 292.12 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[(2,4-dichlorophenyl)methyl]amino]acetic acid is sourced from PubChem (CID 55246702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).