2-[2-[[carboxy(phenyl)methyl]-hydroxyamino]ethyl-hydroxyamino]-2-phenylacetic acid

C18H20N2O6 — CID 140872760

IUPAC2-[2-[[carboxy(phenyl)methyl]-hydroxyamino]ethyl-hydroxyamino]-2-phenylacetic acid
SMILESO=C(O)C(c1ccccc1)N(O)CCN(O)C(C(=O)O)c1ccccc1
InChIInChI=1S/C18H20N2O6/c21-17(22)15(13-7-3-1-4-8-13)19(25)11-12-20(26)16(18(23)24)14-9-5-2-6-10-14/h1-10,15-16,25-26H,11-12H2,(H,21,22)(H,23,24)
InChIKeyFRBYJCORNHQJTG-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.02
Rot. Bonds9

About 2-[2-[[carboxy(phenyl)methyl]-hydroxyamino]ethyl-hydroxyamino]-2-phenylacetic acid

2-[2-[[carboxy(phenyl)methyl]-hydroxyamino]ethyl-hydroxyamino]-2-phenylacetic acid (PubChem CID 140872760) has the molecular formula C18H20N2O6 and a molecular weight of 360.37 g/mol. Its IUPAC name is 2-[2-[[carboxy(phenyl)methyl]-hydroxyamino]ethyl-hydroxyamino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[2-[[carboxy(phenyl)methyl]-hydroxyamino]ethyl-hydroxyamino]-2-phenylacetic acid
PubChem CID140872760
Molecular FormulaC18H20N2O6
Molecular Weight360.37 g/mol
Exact Mass360.13
IUPAC Name2-[2-[[carboxy(phenyl)methyl]-hydroxyamino]ethyl-hydroxyamino]-2-phenylacetic acid
SMILESO=C(O)C(c1ccccc1)N(O)CCN(O)C(C(=O)O)c1ccccc1
InChIInChI=1S/C18H20N2O6/c21-17(22)15(13-7-3-1-4-8-13)19(25)11-12-20(26)16(18(23)24)14-9-5-2-6-10-14/h1-10,15-16,25-26H,11-12H2,(H,21,22)(H,23,24)
InChIKeyFRBYJCORNHQJTG-UHFFFAOYSA-N
XLogP2.02
TPSA121.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[carboxy-[carboxy(phenyl)methyl]amino]propanoic acid
CID 126650108
(2S)-2-[bis(prop-2-enyl)amino]-2-phenylacetic acid
CID 42179506
2-[bis(prop-2-enyl)amino]-2-phenylacetic acid
CID 22683784
(2R)-2-(diethylamino)-2-phenylacetic acid;hydrochloride
CID 66750067
2-[2-hydroxyethyl(propan-2-yl)amino]-2-phenylacetic acid
CID 54994766
2-(N-bromoanilino)-2-phenylacetic acid
CID 102137930
2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-phenylacetic acid
CID 79387422
2-[ethyl(propan-2-yl)amino]-2-phenylacetic acid;hydrochloride
CID 164518114
2-[butyl(2-hydroxyethyl)amino]-2-phenylacetic acid
CID 61446531
2-[(2-chlorophenyl)methyl-methylamino]-2-phenylacetic acid
CID 61416812
(2R)-2-[ethyl(methoxycarbonyl)amino]-2-phenylacetic acid
CID 67681844
2-[ethyl(2-ethylbutyl)amino]-2-phenylacetic acid
CID 61436697

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[carboxy(phenyl)methyl]-hydroxyamino]ethyl-hydroxyamino]-2-phenylacetic acid?
The IUPAC name of 2-[2-[[carboxy(phenyl)methyl]-hydroxyamino]ethyl-hydroxyamino]-2-phenylacetic acid (CID 140872760) is 2-[2-[[carboxy(phenyl)methyl]-hydroxyamino]ethyl-hydroxyamino]-2-phenylacetic acid.
What is the SMILES notation for 2-[2-[[carboxy(phenyl)methyl]-hydroxyamino]ethyl-hydroxyamino]-2-phenylacetic acid?
The canonical SMILES for 2-[2-[[carboxy(phenyl)methyl]-hydroxyamino]ethyl-hydroxyamino]-2-phenylacetic acid is O=C(O)C(c1ccccc1)N(O)CCN(O)C(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[2-[[carboxy(phenyl)methyl]-hydroxyamino]ethyl-hydroxyamino]-2-phenylacetic acid?
The InChIKey is FRBYJCORNHQJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6/c21-17(22)15(13-7-3-1-4-8-13)19(25)11-12-20(26)16(18(23)24)14-9-5-2-6-10-14/h1-10,15-16,25-26H,11-12H2,(H,21,22)(H,23,24).
What are the key properties of 2-[2-[[carboxy(phenyl)methyl]-hydroxyamino]ethyl-hydroxyamino]-2-phenylacetic acid?
2-[2-[[carboxy(phenyl)methyl]-hydroxyamino]ethyl-hydroxyamino]-2-phenylacetic acid has a molecular weight of 360.37 g/mol, XLogP of 2.02, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[carboxy(phenyl)methyl]-hydroxyamino]ethyl-hydroxyamino]-2-phenylacetic acid is sourced from PubChem (CID 140872760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).