2-amino-2-(4-propan-2-yloxyphenyl)propanoic acid

C12H17NO3 — CID 24692906

IUPAC2-amino-2-(4-propan-2-yloxyphenyl)propanoic acid
SMILESCC(C)Oc1ccc(C(C)(N)C(=O)O)cc1
InChIInChI=1S/C12H17NO3/c1-8(2)16-10-6-4-9(5-7-10)12(3,13)11(14)15/h4-8H,13H2,1-3H3,(H,14,15)
InChIKeyGFACSBSLNFLOMJ-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.73
Rot. Bonds4

About 2-amino-2-(4-propan-2-yloxyphenyl)propanoic acid

2-amino-2-(4-propan-2-yloxyphenyl)propanoic acid (PubChem CID 24692906) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-amino-2-(4-propan-2-yloxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-2-(4-propan-2-yloxyphenyl)propanoic acid
PubChem CID24692906
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-amino-2-(4-propan-2-yloxyphenyl)propanoic acid
SMILESCC(C)Oc1ccc(C(C)(N)C(=O)O)cc1
InChIInChI=1S/C12H17NO3/c1-8(2)16-10-6-4-9(5-7-10)12(3,13)11(14)15/h4-8H,13H2,1-3H3,(H,14,15)
InChIKeyGFACSBSLNFLOMJ-UHFFFAOYSA-N
XLogP1.73
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-2,2-dimethyl-3-(4-propan-2-yloxyphenyl)butanoic acid
CID 55071473
2-(4-propan-2-yloxyphenyl)propane-1,2-diamine
CID 116855579
1-phenyl-1-(4-propan-2-yloxyphenyl)ethanol
CID 62795392
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-propan-2-yloxyphenyl)propanoic acid
CID 127263628
2,2,3,3-tetramethyl-4,4-bis(4-propan-2-yloxyphenyl)hexanedioic acid
CID 19013093
2-amino-2-(4-propan-2-yloxyphenyl)propanenitrile
CID 16794106
1-(4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 62797468
[4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]phenyl] 2,2-dimethylpropanoate
CID 118043540
2-hydroxy-2-methyl-3-(4-propan-2-yloxyanilino)propanoic acid
CID 104643867
2-morpholin-4-yl-2-(4-propan-2-yloxyphenyl)propanoic acid
CID 43803260
2-[ethyl(formyl)amino]-2-(4-propan-2-yloxyphenyl)propanoic acid
CID 63688316
4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]phenol
CID 21466220

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-propan-2-yloxyphenyl)propanoic acid?
The IUPAC name of 2-amino-2-(4-propan-2-yloxyphenyl)propanoic acid (CID 24692906) is 2-amino-2-(4-propan-2-yloxyphenyl)propanoic acid.
What is the SMILES notation for 2-amino-2-(4-propan-2-yloxyphenyl)propanoic acid?
The canonical SMILES for 2-amino-2-(4-propan-2-yloxyphenyl)propanoic acid is CC(C)Oc1ccc(C(C)(N)C(=O)O)cc1.
What is the InChIKey of 2-amino-2-(4-propan-2-yloxyphenyl)propanoic acid?
The InChIKey is GFACSBSLNFLOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8(2)16-10-6-4-9(5-7-10)12(3,13)11(14)15/h4-8H,13H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-2-(4-propan-2-yloxyphenyl)propanoic acid?
2-amino-2-(4-propan-2-yloxyphenyl)propanoic acid has a molecular weight of 223.27 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-propan-2-yloxyphenyl)propanoic acid is sourced from PubChem (CID 24692906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).