2-[carboxymethyl-[2-(2-chlorophenoxy)ethyl]amino]acetic acid

C12H14ClNO5 — CID 63646826

IUPAC2-[carboxymethyl-[2-(2-chlorophenoxy)ethyl]amino]acetic acid
SMILESO=C(O)CN(CCOc1ccccc1Cl)CC(=O)O
InChIInChI=1S/C12H14ClNO5/c13-9-3-1-2-4-10(9)19-6-5-14(7-11(15)16)8-12(17)18/h1-4H,5-8H2,(H,15,16)(H,17,18)
InChIKeyZQRWASFVEYWSNV-UHFFFAOYSA-N
MW287.70 g/mol
LogP1.19
Rot. Bonds8

About 2-[carboxymethyl-[2-(2-chlorophenoxy)ethyl]amino]acetic acid

2-[carboxymethyl-[2-(2-chlorophenoxy)ethyl]amino]acetic acid (PubChem CID 63646826) has the molecular formula C12H14ClNO5 and a molecular weight of 287.70 g/mol. Its IUPAC name is 2-[carboxymethyl-[2-(2-chlorophenoxy)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[2-(2-chlorophenoxy)ethyl]amino]acetic acid
PubChem CID63646826
Molecular FormulaC12H14ClNO5
Molecular Weight287.70 g/mol
Exact Mass287.06
IUPAC Name2-[carboxymethyl-[2-(2-chlorophenoxy)ethyl]amino]acetic acid
SMILESO=C(O)CN(CCOc1ccccc1Cl)CC(=O)O
InChIInChI=1S/C12H14ClNO5/c13-9-3-1-2-4-10(9)19-6-5-14(7-11(15)16)8-12(17)18/h1-4H,5-8H2,(H,15,16)(H,17,18)
InChIKeyZQRWASFVEYWSNV-UHFFFAOYSA-N
XLogP1.19
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.70
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-chlorophenoxy)ethyl-propylamino]acetic acid
CID 54899208
2-[2-(2-chlorophenoxy)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258602
2-[carboxymethyl-[3-(2-chlorophenoxy)propanoyl]amino]acetic acid
CID 63651815
2-[2-(2-bromo-4-chlorophenoxy)ethyl-(carboxymethyl)amino]acetic acid
CID 63645272
2-[3-(2-chlorophenoxy)propanoyl-propylamino]acetic acid
CID 61011692
3-[3-(2-chlorophenoxy)propanoyl-methylamino]propanoic acid
CID 60988513
2-[3-(2-chlorophenoxy)propanoyl-cyclopropylamino]acetic acid
CID 60826398
2-[2-(dimethylamino)ethyl-[2-(2-methoxyphenoxy)ethyl]amino]acetic acid
CID 107425771
5-[2-(2-chlorophenoxy)ethyl-methylamino]-3-methyl-5-oxopentanoic acid
CID 62964900
bis[2-(2-chlorophenoxy)ethyl] oxalate
CID 68775442
2-[3-(2-chlorophenoxy)propyl]propanedioic acid
CID 174289413
2-[4-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]phenoxy]ethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 54672557

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[2-(2-chlorophenoxy)ethyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[2-(2-chlorophenoxy)ethyl]amino]acetic acid (CID 63646826) is 2-[carboxymethyl-[2-(2-chlorophenoxy)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[2-(2-chlorophenoxy)ethyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[2-(2-chlorophenoxy)ethyl]amino]acetic acid is O=C(O)CN(CCOc1ccccc1Cl)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl-[2-(2-chlorophenoxy)ethyl]amino]acetic acid?
The InChIKey is ZQRWASFVEYWSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO5/c13-9-3-1-2-4-10(9)19-6-5-14(7-11(15)16)8-12(17)18/h1-4H,5-8H2,(H,15,16)(H,17,18).
What are the key properties of 2-[carboxymethyl-[2-(2-chlorophenoxy)ethyl]amino]acetic acid?
2-[carboxymethyl-[2-(2-chlorophenoxy)ethyl]amino]acetic acid has a molecular weight of 287.70 g/mol, XLogP of 1.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[2-(2-chlorophenoxy)ethyl]amino]acetic acid is sourced from PubChem (CID 63646826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).