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

C9H19NO4 — CID 154960601

IUPAC[(3R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid
SMILESC[C@@H](OC(C)(C)C)C(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-ULUSZKPHSA-N
MW205.25 g/mol
LogP0.82
Rot. Bonds4

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

[(3R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid (PubChem CID 154960601) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is [(3R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(3R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid
PubChem CID154960601
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name[(3R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid
SMILESC[C@@H](OC(C)(C)C)C(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-ULUSZKPHSA-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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Related Compounds

[(2R,3R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid
CID 90422490
(1-hydroxy-3-methylpentan-2-yl)carbamic acid
CID 22242867
[(2R,3S)-1-hydroxy-3-(oxan-2-yloxy)butan-2-yl]carbamic acid
CID 90284220
2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 15601072
(2S)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 87326965
(2S,3R)-2-ethyl-3-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 143229027
[1-hydroxy-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]carbamic acid
CID 87382476
[(2S)-1-hydroxypropan-2-yl]carbamic acid
CID 87508114
(3R,4S)-5-hydroxy-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 118054348
[(2R)-3-hydroxy-3-methylbutan-2-yl]carbamic acid
CID 129021869
[(2S)-3-hydroxy-3-methylbutan-2-yl]carbamic acid
CID 151056866
benzyl N-[2-[(2-methylpropan-2-yl)oxy]pentan-3-yl]carbamate
CID 22951368

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid?
The IUPAC name of [(3R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid (CID 154960601) is [(3R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid.
What is the SMILES notation for [(3R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid?
The canonical SMILES for [(3R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid is C[C@@H](OC(C)(C)C)C(CO)NC(=O)O.
What is the InChIKey of [(3R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid?
The InChIKey is PMWHVOPWWSOMAN-ULUSZKPHSA-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 [(3R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid?
[(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 [(3R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid is sourced from PubChem (CID 154960601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).