tert-butyl-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamic acid

C9H19NO4 — CID 45092048

IUPACtert-butyl-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamic acid
SMILESCOC[C@@H](CO)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C9H19NO4/c1-9(2,3)10(8(12)13)7(5-11)6-14-4/h7,11H,5-6H2,1-4H3,(H,12,13)/t7-/m1/s1
InChIKeyBPOKUEGHNRQUSS-SSDOTTSWSA-N
MW205.25 g/mol
LogP0.77
Rot. Bonds4

About tert-butyl-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamic acid

tert-butyl-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamic acid (PubChem CID 45092048) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is tert-butyl-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamic acid
PubChem CID45092048
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Nametert-butyl-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamic acid
SMILESCOC[C@@H](CO)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C9H19NO4/c1-9(2,3)10(8(12)13)7(5-11)6-14-4/h7,11H,5-6H2,1-4H3,(H,12,13)/t7-/m1/s1
InChIKeyBPOKUEGHNRQUSS-SSDOTTSWSA-N
XLogP0.77
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamic acid?
The IUPAC name of tert-butyl-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamic acid (CID 45092048) is tert-butyl-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamic acid?
The canonical SMILES for tert-butyl-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamic acid is COC[C@@H](CO)N(C(=O)O)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamic acid?
The InChIKey is BPOKUEGHNRQUSS-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H19NO4/c1-9(2,3)10(8(12)13)7(5-11)6-14-4/h7,11H,5-6H2,1-4H3,(H,12,13)/t7-/m1/s1.
What are the key properties of tert-butyl-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamic acid?
tert-butyl-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamic acid has a molecular weight of 205.25 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamic acid is sourced from PubChem (CID 45092048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).