tert-butyl N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]carbamate

C9H18N2O3 — CID 59640689

IUPACtert-butyl N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CNC[C@H]1O
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)/t6-,7-/m1/s1
InChIKeyQAZVTJCOYJOJGO-RNFRBKRXSA-N
MW202.25 g/mol
LogP-0.16
Rot. Bonds1

About tert-butyl N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]carbamate

tert-butyl N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]carbamate (PubChem CID 59640689) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is tert-butyl N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]carbamate
PubChem CID59640689
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Nametert-butyl N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CNC[C@H]1O
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)/t6-,7-/m1/s1
InChIKeyQAZVTJCOYJOJGO-RNFRBKRXSA-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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Related Compounds

CID 4532904
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CID 11275699
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CID 28819679
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CID 10584835
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CID 10798157
CID 10798157
CID 11820622
CID 11820622
CID 15069970
CID 15069970
CID 15069971
CID 15069971
CID 16227912
CID 16227912
CID 22869528
CID 22869528
CID 45092024
CID 45092024
CID 50986390
CID 50986390

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]carbamate (CID 59640689) is tert-butyl N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CNC[C@H]1O.
What is the InChIKey of tert-butyl N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]carbamate?
The InChIKey is QAZVTJCOYJOJGO-RNFRBKRXSA-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)/t6-,7-/m1/s1.
What are the key properties of tert-butyl N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]carbamate?
tert-butyl N-[(3R,4R)-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-[(3R,4R)-4-hydroxypyrrolidin-3-yl]carbamate is sourced from PubChem (CID 59640689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).