tert-butyl 2-[(2-hydroxyphenyl)methylamino]acetate

C13H19NO3 — CID 78994150

IUPACtert-butyl 2-[(2-hydroxyphenyl)methylamino]acetate
SMILESCC(C)(C)OC(=O)CNCc1ccccc1O
InChIInChI=1S/C13H19NO3/c1-13(2,3)17-12(16)9-14-8-10-6-4-5-7-11(10)15/h4-7,14-15H,8-9H2,1-3H3
InChIKeyWOCHBABWQANLLC-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.82
Rot. Bonds4

About tert-butyl 2-[(2-hydroxyphenyl)methylamino]acetate

tert-butyl 2-[(2-hydroxyphenyl)methylamino]acetate (PubChem CID 78994150) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is tert-butyl 2-[(2-hydroxyphenyl)methylamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(2-hydroxyphenyl)methylamino]acetate
PubChem CID78994150
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nametert-butyl 2-[(2-hydroxyphenyl)methylamino]acetate
SMILESCC(C)(C)OC(=O)CNCc1ccccc1O
InChIInChI=1S/C13H19NO3/c1-13(2,3)17-12(16)9-14-8-10-6-4-5-7-11(10)15/h4-7,14-15H,8-9H2,1-3H3
InChIKeyWOCHBABWQANLLC-UHFFFAOYSA-N
XLogP1.82
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze tert-butyl 2-[(2-hydroxyphenyl)methylamino]acetate 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

tert-butyl 2-[(2-hydroxy-3-methylphenyl)methylamino]acetate
CID 112607107
tert-butyl 2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]acetate
CID 81462864
tert-butyl 2-(2-anilinoethylamino)acetate
CID 69347294
tert-butyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate
CID 81463235
tert-butyl 2-[(5-bromo-2-chlorophenyl)methylamino]acetate
CID 113357709
tert-butyl 2-[(3-hydroxy-4-methoxyphenyl)methylamino]acetate
CID 79003996
tert-butyl N-[2-[[2-(2-hydroxyphenyl)acetyl]amino]ethyl]carbamate
CID 52859596
tert-butyl 2-[[4-(methoxymethyl)phenyl]methylamino]acetate
CID 112731298
tert-butyl 2-[(4-phenylmethoxyphenyl)methylamino]acetate
CID 54470705
methyl 2-[(2-ethylphenyl)methylamino]acetate
CID 62390681
tert-butyl 2-[(3-methyl-2-pyridinyl)methylamino]acetate
CID 63305533
tert-butyl 2-[(3-methoxyphenyl)methylamino]acetate
CID 18698419

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2-hydroxyphenyl)methylamino]acetate?
The IUPAC name of tert-butyl 2-[(2-hydroxyphenyl)methylamino]acetate (CID 78994150) is tert-butyl 2-[(2-hydroxyphenyl)methylamino]acetate.
What is the SMILES notation for tert-butyl 2-[(2-hydroxyphenyl)methylamino]acetate?
The canonical SMILES for tert-butyl 2-[(2-hydroxyphenyl)methylamino]acetate is CC(C)(C)OC(=O)CNCc1ccccc1O.
What is the InChIKey of tert-butyl 2-[(2-hydroxyphenyl)methylamino]acetate?
The InChIKey is WOCHBABWQANLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-13(2,3)17-12(16)9-14-8-10-6-4-5-7-11(10)15/h4-7,14-15H,8-9H2,1-3H3.
What are the key properties of tert-butyl 2-[(2-hydroxyphenyl)methylamino]acetate?
tert-butyl 2-[(2-hydroxyphenyl)methylamino]acetate has a molecular weight of 237.30 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2-hydroxyphenyl)methylamino]acetate is sourced from PubChem (CID 78994150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).