tert-butyl N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamate

C9H19NO4 — CID 15287812

IUPACtert-butyl N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamate
SMILESCOC[C@@H](CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO4/c1-9(2,3)14-8(12)10-7(5-11)6-13-4/h7,11H,5-6H2,1-4H3,(H,10,12)/t7-/m1/s1
InChIKeyCMWJWKLWQJMPMM-SSDOTTSWSA-N
MW205.25 g/mol
LogP0.52
Rot. Bonds4

About tert-butyl N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamate

tert-butyl N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamate (PubChem CID 15287812) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamate
PubChem CID15287812
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Nametert-butyl N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamate
SMILESCOC[C@@H](CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO4/c1-9(2,3)14-8(12)10-7(5-11)6-13-4/h7,11H,5-6H2,1-4H3,(H,10,12)/t7-/m1/s1
InChIKeyCMWJWKLWQJMPMM-SSDOTTSWSA-N
XLogP0.52
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamate (CID 15287812) is tert-butyl N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamate is COC[C@@H](CO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamate?
The InChIKey is CMWJWKLWQJMPMM-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H19NO4/c1-9(2,3)14-8(12)10-7(5-11)6-13-4/h7,11H,5-6H2,1-4H3,(H,10,12)/t7-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamate?
tert-butyl N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamate has a molecular weight of 205.25 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamate is sourced from PubChem (CID 15287812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).