[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-hydroxy-4-methylbenzoate

C15H20N2O5 — CID 8550389

IUPAC[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-hydroxy-4-methylbenzoate
SMILESCc1ccc(C(=O)O[C@H](C)C(=O)NC(=O)NC(C)C)c(O)c1
InChIInChI=1S/C15H20N2O5/c1-8(2)16-15(21)17-13(19)10(4)22-14(20)11-6-5-9(3)7-12(11)18/h5-8,10,18H,1-4H3,(H2,16,17,19,21)/t10-/m1/s1
InChIKeyYOPFKCHZUOQYLF-SNVBAGLBSA-N
MW308.33 g/mol
LogP1.48
Rot. Bonds4

About [(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-hydroxy-4-methylbenzoate

[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-hydroxy-4-methylbenzoate (PubChem CID 8550389) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-hydroxy-4-methylbenzoate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-hydroxy-4-methylbenzoate
PubChem CID8550389
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-hydroxy-4-methylbenzoate
SMILESCc1ccc(C(=O)O[C@H](C)C(=O)NC(=O)NC(C)C)c(O)c1
InChIInChI=1S/C15H20N2O5/c1-8(2)16-15(21)17-13(19)10(4)22-14(20)11-6-5-9(3)7-12(11)18/h5-8,10,18H,1-4H3,(H2,16,17,19,21)/t10-/m1/s1
InChIKeyYOPFKCHZUOQYLF-SNVBAGLBSA-N
XLogP1.48
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate
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[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate
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[1-(benzylamino)-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate
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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-hydroxy-4-methylbenzoate?
The IUPAC name of [(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-hydroxy-4-methylbenzoate (CID 8550389) is [(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-hydroxy-4-methylbenzoate.
What is the SMILES notation for [(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-hydroxy-4-methylbenzoate?
The canonical SMILES for [(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-hydroxy-4-methylbenzoate is Cc1ccc(C(=O)O[C@H](C)C(=O)NC(=O)NC(C)C)c(O)c1.
What is the InChIKey of [(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-hydroxy-4-methylbenzoate?
The InChIKey is YOPFKCHZUOQYLF-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-8(2)16-15(21)17-13(19)10(4)22-14(20)11-6-5-9(3)7-12(11)18/h5-8,10,18H,1-4H3,(H2,16,17,19,21)/t10-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-hydroxy-4-methylbenzoate?
[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-hydroxy-4-methylbenzoate has a molecular weight of 308.33 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-hydroxy-4-methylbenzoate is sourced from PubChem (CID 8550389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).