tert-butyl N-(1,3-dihydroxy-2-methoxypropan-2-yl)carbamate

C9H19NO5 — CID 88902282

IUPACtert-butyl N-(1,3-dihydroxy-2-methoxypropan-2-yl)carbamate
SMILESCOC(CO)(CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO5/c1-8(2,3)15-7(13)10-9(5-11,6-12)14-4/h11-12H,5-6H2,1-4H3,(H,10,13)
InChIKeyJMUUXRVBKHSURO-UHFFFAOYSA-N
MW221.25 g/mol
LogP-0.16
Rot. Bonds4

About tert-butyl N-(1,3-dihydroxy-2-methoxypropan-2-yl)carbamate

tert-butyl N-(1,3-dihydroxy-2-methoxypropan-2-yl)carbamate (PubChem CID 88902282) has the molecular formula C9H19NO5 and a molecular weight of 221.25 g/mol. Its IUPAC name is tert-butyl N-(1,3-dihydroxy-2-methoxypropan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1,3-dihydroxy-2-methoxypropan-2-yl)carbamate
PubChem CID88902282
Molecular FormulaC9H19NO5
Molecular Weight221.25 g/mol
Exact Mass221.13
IUPAC Nametert-butyl N-(1,3-dihydroxy-2-methoxypropan-2-yl)carbamate
SMILESCOC(CO)(CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO5/c1-8(2,3)15-7(13)10-9(5-11,6-12)14-4/h11-12H,5-6H2,1-4H3,(H,10,13)
InChIKeyJMUUXRVBKHSURO-UHFFFAOYSA-N
XLogP-0.16
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 tert-butyl N-(1,3-dihydroxy-2-methoxypropan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1,3-dihydroxy-2-methoxypropan-2-yl)carbamate (CID 88902282) is tert-butyl N-(1,3-dihydroxy-2-methoxypropan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1,3-dihydroxy-2-methoxypropan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1,3-dihydroxy-2-methoxypropan-2-yl)carbamate is COC(CO)(CO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(1,3-dihydroxy-2-methoxypropan-2-yl)carbamate?
The InChIKey is JMUUXRVBKHSURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO5/c1-8(2,3)15-7(13)10-9(5-11,6-12)14-4/h11-12H,5-6H2,1-4H3,(H,10,13).
What are the key properties of tert-butyl N-(1,3-dihydroxy-2-methoxypropan-2-yl)carbamate?
tert-butyl N-(1,3-dihydroxy-2-methoxypropan-2-yl)carbamate has a molecular weight of 221.25 g/mol, XLogP of -0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1,3-dihydroxy-2-methoxypropan-2-yl)carbamate is sourced from PubChem (CID 88902282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).