tert-butyl N-(4-hydroxypyrrolidin-2-yl)carbamate

C9H18N2O3 — CID 70204935

IUPACtert-butyl N-(4-hydroxypyrrolidin-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC(O)CN1
InChIInChI=1S/C9H18N2O3/c1-9(2,3)14-8(13)11-7-4-6(12)5-10-7/h6-7,10,12H,4-5H2,1-3H3,(H,11,13)
InChIKeyYHPMIFMPHSHDPH-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.19
Rot. Bonds1

About tert-butyl N-(4-hydroxypyrrolidin-2-yl)carbamate

tert-butyl N-(4-hydroxypyrrolidin-2-yl)carbamate (PubChem CID 70204935) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is tert-butyl N-(4-hydroxypyrrolidin-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-hydroxypyrrolidin-2-yl)carbamate
PubChem CID70204935
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Nametert-butyl N-(4-hydroxypyrrolidin-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC(O)CN1
InChIInChI=1S/C9H18N2O3/c1-9(2,3)14-8(13)11-7-4-6(12)5-10-7/h6-7,10,12H,4-5H2,1-3H3,(H,11,13)
InChIKeyYHPMIFMPHSHDPH-UHFFFAOYSA-N
XLogP0.19
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 ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-[(1S,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]carbamate
CID 154704474
tert-butyl N-[4-(hydroxymethyl)piperidin-2-yl]carbamate
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tert-butyl N-(2-azabicyclo[2.2.2]octan-6-yl)carbamate;hydrochloride
CID 126791140
tert-butyl N-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 24728871
tert-butyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
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tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate
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tert-butyl N-[(1S,2S,4S)-4-hydroxy-2-methylcyclopentyl]carbamate
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tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
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tert-butyl N-(3-azabicyclo[3.1.1]heptan-6-yl)carbamate;oxalic acid
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-hydroxypyrrolidin-2-yl)carbamate?
The IUPAC name of tert-butyl N-(4-hydroxypyrrolidin-2-yl)carbamate (CID 70204935) is tert-butyl N-(4-hydroxypyrrolidin-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-hydroxypyrrolidin-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-hydroxypyrrolidin-2-yl)carbamate is CC(C)(C)OC(=O)NC1CC(O)CN1.
What is the InChIKey of tert-butyl N-(4-hydroxypyrrolidin-2-yl)carbamate?
The InChIKey is YHPMIFMPHSHDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-9(2,3)14-8(13)11-7-4-6(12)5-10-7/h6-7,10,12H,4-5H2,1-3H3,(H,11,13).
What are the key properties of tert-butyl N-(4-hydroxypyrrolidin-2-yl)carbamate?
tert-butyl N-(4-hydroxypyrrolidin-2-yl)carbamate has a molecular weight of 202.25 g/mol, XLogP of 0.19, 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-2-yl)carbamate is sourced from PubChem (CID 70204935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).