2-[2-[2-[carboxymethyl(2-hydroxyethyl)amino]phenoxy]phenyl]-2-(2-hydroxyethylamino)acetic acid

C20H24N2O7 — CID 162778730

IUPAC2-[2-[2-[carboxymethyl(2-hydroxyethyl)amino]phenoxy]phenyl]-2-(2-hydroxyethylamino)acetic acid
SMILESO=C(O)CN(CCO)c1ccccc1Oc1ccccc1C(NCCO)C(=O)O
InChIInChI=1S/C20H24N2O7/c23-11-9-21-19(20(27)28)14-5-1-3-7-16(14)29-17-8-4-2-6-15(17)22(10-12-24)13-18(25)26/h1-8,19,21,23-24H,9-13H2,(H,25,26)(H,27,28)
InChIKeyLEJKCQRXBMMOKL-UHFFFAOYSA-N
MW404.42 g/mol
LogP1.07
Rot. Bonds12

About 2-[2-[2-[carboxymethyl(2-hydroxyethyl)amino]phenoxy]phenyl]-2-(2-hydroxyethylamino)acetic acid

2-[2-[2-[carboxymethyl(2-hydroxyethyl)amino]phenoxy]phenyl]-2-(2-hydroxyethylamino)acetic acid (PubChem CID 162778730) has the molecular formula C20H24N2O7 and a molecular weight of 404.42 g/mol. Its IUPAC name is 2-[2-[2-[carboxymethyl(2-hydroxyethyl)amino]phenoxy]phenyl]-2-(2-hydroxyethylamino)acetic acid.

Molecular Properties

Compound Name2-[2-[2-[carboxymethyl(2-hydroxyethyl)amino]phenoxy]phenyl]-2-(2-hydroxyethylamino)acetic acid
PubChem CID162778730
Molecular FormulaC20H24N2O7
Molecular Weight404.42 g/mol
Exact Mass404.16
IUPAC Name2-[2-[2-[carboxymethyl(2-hydroxyethyl)amino]phenoxy]phenyl]-2-(2-hydroxyethylamino)acetic acid
SMILESO=C(O)CN(CCO)c1ccccc1Oc1ccccc1C(NCCO)C(=O)O
InChIInChI=1S/C20H24N2O7/c23-11-9-21-19(20(27)28)14-5-1-3-7-16(14)29-17-8-4-2-6-15(17)22(10-12-24)13-18(25)26/h1-8,19,21,23-24H,9-13H2,(H,25,26)(H,27,28)
InChIKeyLEJKCQRXBMMOKL-UHFFFAOYSA-N
XLogP1.07
TPSA139.56 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 51.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[2-[carboxylatomethyl(2-oxidoethyl)amino]phenoxy]phenyl]-2-(2-oxidoethylamino)acetate
CID 162778729
2-(2-hydroxyethylamino)-2-(2-hydroxyphenyl)acetic acid
CID 129275046
2-(N-ethyl-2-phenoxyanilino)acetic acid
CID 100522605
2-(2-methoxyphenyl)-2-(3-methoxypropylamino)acetic acid
CID 84745991
2-[2-[[carboxy-(2-hydroxyphenyl)methyl]amino]ethylamino]-2-(2-hydroxyphenyl)acetic acid
CID 14432
CID 131879696
CID 131879696
3-[[carboxy-(2-chlorophenyl)methyl]amino]propanoic acid
CID 84746174
2-(5-hydroxypentylamino)-2-(2-hydroxyphenyl)acetic acid
CID 158765005
2-(2,3-dimethoxyphenyl)-2-(3-hydroxypropylamino)acetic acid
CID 84747107
2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid
CID 54890478
2-(2-methoxyphenyl)-2-(prop-2-ynylamino)acetic acid
CID 62353700
2-[2-[bis(carboxymethyl)amino]-N-(carboxymethyl)anilino]acetic acid;ethane
CID 90830010

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[carboxymethyl(2-hydroxyethyl)amino]phenoxy]phenyl]-2-(2-hydroxyethylamino)acetic acid?
The IUPAC name of 2-[2-[2-[carboxymethyl(2-hydroxyethyl)amino]phenoxy]phenyl]-2-(2-hydroxyethylamino)acetic acid (CID 162778730) is 2-[2-[2-[carboxymethyl(2-hydroxyethyl)amino]phenoxy]phenyl]-2-(2-hydroxyethylamino)acetic acid.
What is the SMILES notation for 2-[2-[2-[carboxymethyl(2-hydroxyethyl)amino]phenoxy]phenyl]-2-(2-hydroxyethylamino)acetic acid?
The canonical SMILES for 2-[2-[2-[carboxymethyl(2-hydroxyethyl)amino]phenoxy]phenyl]-2-(2-hydroxyethylamino)acetic acid is O=C(O)CN(CCO)c1ccccc1Oc1ccccc1C(NCCO)C(=O)O.
What is the InChIKey of 2-[2-[2-[carboxymethyl(2-hydroxyethyl)amino]phenoxy]phenyl]-2-(2-hydroxyethylamino)acetic acid?
The InChIKey is LEJKCQRXBMMOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O7/c23-11-9-21-19(20(27)28)14-5-1-3-7-16(14)29-17-8-4-2-6-15(17)22(10-12-24)13-18(25)26/h1-8,19,21,23-24H,9-13H2,(H,25,26)(H,27,28).
What are the key properties of 2-[2-[2-[carboxymethyl(2-hydroxyethyl)amino]phenoxy]phenyl]-2-(2-hydroxyethylamino)acetic acid?
2-[2-[2-[carboxymethyl(2-hydroxyethyl)amino]phenoxy]phenyl]-2-(2-hydroxyethylamino)acetic acid has a molecular weight of 404.42 g/mol, XLogP of 1.07, 12 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[carboxymethyl(2-hydroxyethyl)amino]phenoxy]phenyl]-2-(2-hydroxyethylamino)acetic acid is sourced from PubChem (CID 162778730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).