[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamic acid

C12H15NO4 — CID 139764509

IUPAC[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamic acid
SMILESCC(C)(C)OC(=O)c1cccc(NC(=O)O)c1
InChIInChI=1S/C12H15NO4/c1-12(2,3)17-10(14)8-5-4-6-9(7-8)13-11(15)16/h4-7,13H,1-3H3,(H,15,16)
InChIKeyGHSORUAYJVJYHD-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.73
Rot. Bonds2

About [3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamic acid

[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamic acid (PubChem CID 139764509) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is [3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamic acid.

Molecular Properties

Compound Name[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamic acid
PubChem CID139764509
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamic acid
SMILESCC(C)(C)OC(=O)c1cccc(NC(=O)O)c1
InChIInChI=1S/C12H15NO4/c1-12(2,3)17-10(14)8-5-4-6-9(7-8)13-11(15)16/h4-7,13H,1-3H3,(H,15,16)
InChIKeyGHSORUAYJVJYHD-UHFFFAOYSA-N
XLogP2.73
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-(ethylamino)benzoate
CID 18375541
tert-butyl 3-(1,2,2-tricyanoethenylamino)benzoate
CID 168606601
[3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]phenyl]carbamic acid
CID 18416506
tert-butyl 3-[(4-ethylphenyl)methylamino]benzoate
CID 70963157
tert-butyl 3-[(5-amino-3-methyl-1,2-thiazole-4-carbonyl)amino]benzoate
CID 118278747
tert-butyl azulene-5-carboxylate
CID 67371592
methyl 3-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]benzoate
CID 11110067
tert-butyl 3-(methylcarbamoyl)benzoate
CID 138647614
[3-[(2-methylpropan-2-yl)oxy]phenyl]carbamic acid
CID 67275396
[4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamic acid
CID 121000540
3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 6951350
CID 162139404
CID 162139404

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamic acid?
The IUPAC name of [3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamic acid (CID 139764509) is [3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamic acid.
What is the SMILES notation for [3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamic acid?
The canonical SMILES for [3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamic acid is CC(C)(C)OC(=O)c1cccc(NC(=O)O)c1.
What is the InChIKey of [3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamic acid?
The InChIKey is GHSORUAYJVJYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-12(2,3)17-10(14)8-5-4-6-9(7-8)13-11(15)16/h4-7,13H,1-3H3,(H,15,16).
What are the key properties of [3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamic acid?
[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamic acid has a molecular weight of 237.25 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamic acid is sourced from PubChem (CID 139764509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).