[(2R,3R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid

C9H19NO4 — CID 90422490

IUPAC[(2R,3R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid
SMILESC[C@@H](OC(C)(C)C)[C@@H](CO)NC(=O)O
InChIInChI=1S/C9H19NO4/c1-6(14-9(2,3)4)7(5-11)10-8(12)13/h6-7,10-11H,5H2,1-4H3,(H,12,13)/t6-,7-/m1/s1
InChIKeyPMWHVOPWWSOMAN-RNFRBKRXSA-N
MW205.25 g/mol
LogP0.82
Rot. Bonds4

About [(2R,3R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid

[(2R,3R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid (PubChem CID 90422490) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is [(2R,3R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2R,3R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid
PubChem CID90422490
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name[(2R,3R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid
SMILESC[C@@H](OC(C)(C)C)[C@@H](CO)NC(=O)O
InChIInChI=1S/C9H19NO4/c1-6(14-9(2,3)4)7(5-11)10-8(12)13/h6-7,10-11H,5H2,1-4H3,(H,12,13)/t6-,7-/m1/s1
InChIKeyPMWHVOPWWSOMAN-RNFRBKRXSA-N
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid?
The IUPAC name of [(2R,3R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid (CID 90422490) is [(2R,3R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid.
What is the SMILES notation for [(2R,3R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid?
The canonical SMILES for [(2R,3R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid is C[C@@H](OC(C)(C)C)[C@@H](CO)NC(=O)O.
What is the InChIKey of [(2R,3R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid?
The InChIKey is PMWHVOPWWSOMAN-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H19NO4/c1-6(14-9(2,3)4)7(5-11)10-8(12)13/h6-7,10-11H,5H2,1-4H3,(H,12,13)/t6-,7-/m1/s1.
What are the key properties of [(2R,3R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid?
[(2R,3R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid has a molecular weight of 205.25 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid is sourced from PubChem (CID 90422490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).