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

C8H17NO4 — CID 10631565

IUPACtert-butyl N-(1,3-dihydroxypropan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(CO)CO
InChIInChI=1S/C8H17NO4/c1-8(2,3)13-7(12)9-6(4-10)5-11/h6,10-11H,4-5H2,1-3H3,(H,9,12)
InChIKeyJHBKBRLRYPYBLP-UHFFFAOYSA-N
MW191.23 g/mol
LogP-0.14
Rot. Bonds3

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

tert-butyl N-(1,3-dihydroxypropan-2-yl)carbamate (PubChem CID 10631565) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is tert-butyl N-(1,3-dihydroxypropan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1,3-dihydroxypropan-2-yl)carbamate
PubChem CID10631565
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Nametert-butyl N-(1,3-dihydroxypropan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(CO)CO
InChIInChI=1S/C8H17NO4/c1-8(2,3)13-7(12)9-6(4-10)5-11/h6,10-11H,4-5H2,1-3H3,(H,9,12)
InChIKeyJHBKBRLRYPYBLP-UHFFFAOYSA-N
XLogP-0.14
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1,3-dihydroxypropan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1,3-dihydroxypropan-2-yl)carbamate (CID 10631565) is tert-butyl N-(1,3-dihydroxypropan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1,3-dihydroxypropan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1,3-dihydroxypropan-2-yl)carbamate is CC(C)(C)OC(=O)NC(CO)CO.
What is the InChIKey of tert-butyl N-(1,3-dihydroxypropan-2-yl)carbamate?
The InChIKey is JHBKBRLRYPYBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4/c1-8(2,3)13-7(12)9-6(4-10)5-11/h6,10-11H,4-5H2,1-3H3,(H,9,12).
What are the key properties of tert-butyl N-(1,3-dihydroxypropan-2-yl)carbamate?
tert-butyl N-(1,3-dihydroxypropan-2-yl)carbamate has a molecular weight of 191.23 g/mol, XLogP of -0.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1,3-dihydroxypropan-2-yl)carbamate is sourced from PubChem (CID 10631565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).