(2-aminoethylamino) 2-hydroxy-2-phenylacetate

C10H14N2O3 — CID 87438993

IUPAC(2-aminoethylamino) 2-hydroxy-2-phenylacetate
SMILESNCCNOC(=O)C(O)c1ccccc1
InChIInChI=1S/C10H14N2O3/c11-6-7-12-15-10(14)9(13)8-4-2-1-3-5-8/h1-5,9,12-13H,6-7,11H2
InChIKeyOGOZUDOBTGUPSC-UHFFFAOYSA-N
MW210.23 g/mol
LogP-0.27
Rot. Bonds5

About (2-aminoethylamino) 2-hydroxy-2-phenylacetate

(2-aminoethylamino) 2-hydroxy-2-phenylacetate (PubChem CID 87438993) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is (2-aminoethylamino) 2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Name(2-aminoethylamino) 2-hydroxy-2-phenylacetate
PubChem CID87438993
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name(2-aminoethylamino) 2-hydroxy-2-phenylacetate
SMILESNCCNOC(=O)C(O)c1ccccc1
InChIInChI=1S/C10H14N2O3/c11-6-7-12-15-10(14)9(13)8-4-2-1-3-5-8/h1-5,9,12-13H,6-7,11H2
InChIKeyOGOZUDOBTGUPSC-UHFFFAOYSA-N
XLogP-0.27
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2-aminoethylamino) 2-hydroxy-2-phenylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-hydroxy-2-phenylacetyl) 2-hydroxy-2-phenylacetate
CID 14706693
(2-aminoethylamino) 2,2-bis(4-hydroxyphenyl)acetate
CID 88833049
chloromethyl 2-hydroxy-2-phenylacetate
CID 123324758
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
benzyl (2R)-2-hydroxy-2-phenylacetate
CID 853755
10-(2-hydroxy-2-phenylacetyl)oxydecyl 2-hydroxy-2-phenylacetate
CID 123268996
bis[[(2R)-2-hydroxy-2-phenylacetyl]oxy]gallanyl 2-hydroxy-2-phenylacetate
CID 140596039
phenyl (2R)-2-hydroxy-2-phenylacetate
CID 15685596
methyl (2R)-2-hydroxy-2-(4-phenylphenyl)acetate
CID 54430210
ethyl 2-hydroxy-2-phenylacetate;methane;dihydrochloride
CID 174768847
sodium;ethyl 2-hydroxy-2-phenylacetate;hydride
CID 175364908
[2-(benzhydrylamino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7834182

Frequently Asked Questions

What is the IUPAC name of (2-aminoethylamino) 2-hydroxy-2-phenylacetate?
The IUPAC name of (2-aminoethylamino) 2-hydroxy-2-phenylacetate (CID 87438993) is (2-aminoethylamino) 2-hydroxy-2-phenylacetate.
What is the SMILES notation for (2-aminoethylamino) 2-hydroxy-2-phenylacetate?
The canonical SMILES for (2-aminoethylamino) 2-hydroxy-2-phenylacetate is NCCNOC(=O)C(O)c1ccccc1.
What is the InChIKey of (2-aminoethylamino) 2-hydroxy-2-phenylacetate?
The InChIKey is OGOZUDOBTGUPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c11-6-7-12-15-10(14)9(13)8-4-2-1-3-5-8/h1-5,9,12-13H,6-7,11H2.
What are the key properties of (2-aminoethylamino) 2-hydroxy-2-phenylacetate?
(2-aminoethylamino) 2-hydroxy-2-phenylacetate has a molecular weight of 210.23 g/mol, XLogP of -0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminoethylamino) 2-hydroxy-2-phenylacetate is sourced from PubChem (CID 87438993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).