tert-butyl 2-(3-hydroxyanilino)acetate

C12H17NO3 — CID 68777039

IUPACtert-butyl 2-(3-hydroxyanilino)acetate
SMILESCC(C)(C)OC(=O)CNc1cccc(O)c1
InChIInChI=1S/C12H17NO3/c1-12(2,3)16-11(15)8-13-9-5-4-6-10(14)7-9/h4-7,13-14H,8H2,1-3H3
InChIKeyQFKWFDHGJCTNFK-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.15
Rot. Bonds3

About tert-butyl 2-(3-hydroxyanilino)acetate

tert-butyl 2-(3-hydroxyanilino)acetate (PubChem CID 68777039) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is tert-butyl 2-(3-hydroxyanilino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(3-hydroxyanilino)acetate
PubChem CID68777039
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Nametert-butyl 2-(3-hydroxyanilino)acetate
SMILESCC(C)(C)OC(=O)CNc1cccc(O)c1
InChIInChI=1S/C12H17NO3/c1-12(2,3)16-11(15)8-13-9-5-4-6-10(14)7-9/h4-7,13-14H,8H2,1-3H3
InChIKeyQFKWFDHGJCTNFK-UHFFFAOYSA-N
XLogP2.15
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(3-hydroxyanilino)acetate
CID 22630327
2-hydroxyimino-2-[3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]acetic acid
CID 88721190
[1-(3-hydroxyanilino)-2-methylpropan-2-yl] acetate
CID 174500848
2-(3-hydroxyanilino)acetohydrazide
CID 132888164
methyl 2-[(3-hydroxyphenyl)carbamoylamino]acetate
CID 108895907
3-(ethylamino)phenol
CID 578991
tert-butyl 2-[(2-hydroxyphenyl)methylamino]acetate
CID 78994150
tert-butyl 2-[4-(dimethylamino)anilino]acetate
CID 19001978
N-formyl-2-(3-hydroxyanilino)acetamide
CID 22630304
tert-butyl 2-[(3-chlorophenyl)carbamoylamino]acetate
CID 140974829
tert-butyl 2-[(3-carbamoylphenyl)methylamino]acetate
CID 81463312
2-[4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]acetic acid
CID 69115403

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-hydroxyanilino)acetate?
The IUPAC name of tert-butyl 2-(3-hydroxyanilino)acetate (CID 68777039) is tert-butyl 2-(3-hydroxyanilino)acetate.
What is the SMILES notation for tert-butyl 2-(3-hydroxyanilino)acetate?
The canonical SMILES for tert-butyl 2-(3-hydroxyanilino)acetate is CC(C)(C)OC(=O)CNc1cccc(O)c1.
What is the InChIKey of tert-butyl 2-(3-hydroxyanilino)acetate?
The InChIKey is QFKWFDHGJCTNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-12(2,3)16-11(15)8-13-9-5-4-6-10(14)7-9/h4-7,13-14H,8H2,1-3H3.
What are the key properties of tert-butyl 2-(3-hydroxyanilino)acetate?
tert-butyl 2-(3-hydroxyanilino)acetate has a molecular weight of 223.27 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-hydroxyanilino)acetate is sourced from PubChem (CID 68777039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).