2-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid

C12H15NO5 — CID 10377562

IUPAC2-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
SMILESCC(C)(C)OC(=O)Nc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C12H15NO5/c1-12(2,3)18-11(17)13-7-4-5-9(14)8(6-7)10(15)16/h4-6,14H,1-3H3,(H,13,17)(H,15,16)
InChIKeyQAYDBLPDKAGEFQ-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.44
Rot. Bonds2

About 2-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid

2-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid (PubChem CID 10377562) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is 2-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
PubChem CID10377562
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name2-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
SMILESCC(C)(C)OC(=O)Nc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C12H15NO5/c1-12(2,3)18-11(17)13-7-4-5-9(14)8(6-7)10(15)16/h4-6,14H,1-3H3,(H,13,17)(H,15,16)
InChIKeyQAYDBLPDKAGEFQ-UHFFFAOYSA-N
XLogP2.44
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(3-acetyl-4-hydroxyphenyl)carbamate
CID 18782933
[4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamic acid
CID 121000540
tert-butyl N-[4-hydroxy-3-(2-phenylethylcarbamoyl)phenyl]carbamate
CID 10665956
5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propanoyloxybenzoic acid
CID 22341898
5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-triethylsilyloxybenzoic acid
CID 90152282
2-(2,5-difluorophenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 176681654
2-amino-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 80688637
(2S)-2-[[2-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]-4-methylsulfanylbutanoic acid
CID 178029879
2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(phenylmethoxycarbonylamino)benzoic acid
CID 23290973
tert-butyl N-[3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]carbamate
CID 132820274
tert-butyl N-(7-hydroxynaphthalen-2-yl)carbamate
CID 59683245
5-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-hydroxybenzoic acid
CID 104829215

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid?
The IUPAC name of 2-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid (CID 10377562) is 2-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid is CC(C)(C)OC(=O)Nc1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 2-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid?
The InChIKey is QAYDBLPDKAGEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-12(2,3)18-11(17)13-7-4-5-9(14)8(6-7)10(15)16/h4-6,14H,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 2-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid?
2-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid has a molecular weight of 253.25 g/mol, XLogP of 2.44, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid is sourced from PubChem (CID 10377562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).