[(2R)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid

C9H19NO4 — CID 90422977

IUPAC[(2R)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid
SMILESCC[C@@](CO)(NC(=O)O)OC(C)(C)C
InChIInChI=1S/C9H19NO4/c1-5-9(6-11,10-7(12)13)14-8(2,3)4/h10-11H,5-6H2,1-4H3,(H,12,13)/t9-/m1/s1
InChIKeyWYKCZEKJMDBYIS-SECBINFHSA-N
MW205.25 g/mol
LogP1.17
Rot. Bonds4

About [(2R)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid

[(2R)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid (PubChem CID 90422977) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is [(2R)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2R)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid
PubChem CID90422977
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name[(2R)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid
SMILESCC[C@@](CO)(NC(=O)O)OC(C)(C)C
InChIInChI=1S/C9H19NO4/c1-5-9(6-11,10-7(12)13)14-8(2,3)4/h10-11H,5-6H2,1-4H3,(H,12,13)/t9-/m1/s1
InChIKeyWYKCZEKJMDBYIS-SECBINFHSA-N
XLogP1.17
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid?
The IUPAC name of [(2R)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid (CID 90422977) is [(2R)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid.
What is the SMILES notation for [(2R)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid?
The canonical SMILES for [(2R)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid is CC[C@@](CO)(NC(=O)O)OC(C)(C)C.
What is the InChIKey of [(2R)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid?
The InChIKey is WYKCZEKJMDBYIS-SECBINFHSA-N. The full InChI is InChI=1S/C9H19NO4/c1-5-9(6-11,10-7(12)13)14-8(2,3)4/h10-11H,5-6H2,1-4H3,(H,12,13)/t9-/m1/s1.
What are the key properties of [(2R)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid?
[(2R)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid has a molecular weight of 205.25 g/mol, XLogP of 1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid is sourced from PubChem (CID 90422977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).