tert-butyl N-(4-hydroxypyrrolidin-3-yl)carbamate

C9H18N2O3 — CID 67437029

IUPACtert-butyl N-(4-hydroxypyrrolidin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CNCC1O
InChIInChI=1S/C9H18N2O3/c1-9(2,3)14-8(13)11-6-4-10-5-7(6)12/h6-7,10,12H,4-5H2,1-3H3,(H,11,13)
InChIKeyQAZVTJCOYJOJGO-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.16
Rot. Bonds1

About tert-butyl N-(4-hydroxypyrrolidin-3-yl)carbamate

tert-butyl N-(4-hydroxypyrrolidin-3-yl)carbamate (PubChem CID 67437029) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is tert-butyl N-(4-hydroxypyrrolidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-hydroxypyrrolidin-3-yl)carbamate
PubChem CID67437029
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Nametert-butyl N-(4-hydroxypyrrolidin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CNCC1O
InChIInChI=1S/C9H18N2O3/c1-9(2,3)14-8(13)11-6-4-10-5-7(6)12/h6-7,10,12H,4-5H2,1-3H3,(H,11,13)
InChIKeyQAZVTJCOYJOJGO-UHFFFAOYSA-N
XLogP-0.16
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-hydroxypyrrolidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(4-hydroxypyrrolidin-3-yl)carbamate (CID 67437029) is tert-butyl N-(4-hydroxypyrrolidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-hydroxypyrrolidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-hydroxypyrrolidin-3-yl)carbamate is CC(C)(C)OC(=O)NC1CNCC1O.
What is the InChIKey of tert-butyl N-(4-hydroxypyrrolidin-3-yl)carbamate?
The InChIKey is QAZVTJCOYJOJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-9(2,3)14-8(13)11-6-4-10-5-7(6)12/h6-7,10,12H,4-5H2,1-3H3,(H,11,13).
What are the key properties of tert-butyl N-(4-hydroxypyrrolidin-3-yl)carbamate?
tert-butyl N-(4-hydroxypyrrolidin-3-yl)carbamate has a molecular weight of 202.25 g/mol, XLogP of -0.16, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-hydroxypyrrolidin-3-yl)carbamate is sourced from PubChem (CID 67437029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).