2-[tert-butyl(hydroxy)amino]-2-(4-methoxyphenyl)acetic acid

C13H19NO4 — CID 14359896

IUPAC2-[tert-butyl(hydroxy)amino]-2-(4-methoxyphenyl)acetic acid
SMILESCOc1ccc(C(C(=O)O)N(O)C(C)(C)C)cc1
InChIInChI=1S/C13H19NO4/c1-13(2,3)14(17)11(12(15)16)9-5-7-10(18-4)8-6-9/h5-8,11,17H,1-4H3,(H,15,16)
InChIKeyVOJIPQXQXHZTBA-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.31
Rot. Bonds4

About 2-[tert-butyl(hydroxy)amino]-2-(4-methoxyphenyl)acetic acid

2-[tert-butyl(hydroxy)amino]-2-(4-methoxyphenyl)acetic acid (PubChem CID 14359896) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[tert-butyl(hydroxy)amino]-2-(4-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-[tert-butyl(hydroxy)amino]-2-(4-methoxyphenyl)acetic acid
PubChem CID14359896
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name2-[tert-butyl(hydroxy)amino]-2-(4-methoxyphenyl)acetic acid
SMILESCOc1ccc(C(C(=O)O)N(O)C(C)(C)C)cc1
InChIInChI=1S/C13H19NO4/c1-13(2,3)14(17)11(12(15)16)9-5-7-10(18-4)8-6-9/h5-8,11,17H,1-4H3,(H,15,16)
InChIKeyVOJIPQXQXHZTBA-UHFFFAOYSA-N
XLogP2.31
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[ethyl(formyl)amino]-2-(4-methoxyphenyl)acetic acid
CID 55233202
(2R)-2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 6951708
2-[(4-methoxybenzoyl)-methylamino]-2-phenylacetic acid
CID 14644560
ethane;2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 143238154
(2S,3R)-2-amino-3-hydroxy-3-(4-methoxyphenyl)propanoic acid
CID 10965805
2-[acetyl(methyl)amino]-2-[4-(trifluoromethoxy)phenyl]acetic acid
CID 63701677
(2S)-2-[[(2S)-2-(4-methoxyphenyl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]propanoic acid
CID 156534930
2-[[2-(4-methoxyphenyl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]propanoic acid
CID 156534933
3-fluoro-2-(4-methoxyphenyl)propanoic acid
CID 20555403
(2R)-2-[amino-(4-methoxyphenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 57363280
CID 102355636
CID 102355636
2,2-bis(2,2-dimethylpropyl)-3-(4-methoxyphenyl)butanedioic acid
CID 154270093

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(hydroxy)amino]-2-(4-methoxyphenyl)acetic acid?
The IUPAC name of 2-[tert-butyl(hydroxy)amino]-2-(4-methoxyphenyl)acetic acid (CID 14359896) is 2-[tert-butyl(hydroxy)amino]-2-(4-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-[tert-butyl(hydroxy)amino]-2-(4-methoxyphenyl)acetic acid?
The canonical SMILES for 2-[tert-butyl(hydroxy)amino]-2-(4-methoxyphenyl)acetic acid is COc1ccc(C(C(=O)O)N(O)C(C)(C)C)cc1.
What is the InChIKey of 2-[tert-butyl(hydroxy)amino]-2-(4-methoxyphenyl)acetic acid?
The InChIKey is VOJIPQXQXHZTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-13(2,3)14(17)11(12(15)16)9-5-7-10(18-4)8-6-9/h5-8,11,17H,1-4H3,(H,15,16).
What are the key properties of 2-[tert-butyl(hydroxy)amino]-2-(4-methoxyphenyl)acetic acid?
2-[tert-butyl(hydroxy)amino]-2-(4-methoxyphenyl)acetic acid has a molecular weight of 253.30 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(hydroxy)amino]-2-(4-methoxyphenyl)acetic acid is sourced from PubChem (CID 14359896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).