[(3S,4S)-4-hydroxypyrrolidin-3-yl] carbamate

C5H10N2O3 — CID 89405614

IUPAC[(3S,4S)-4-hydroxypyrrolidin-3-yl] carbamate
SMILESNC(=O)O[C@H]1CNC[C@@H]1O
InChIInChI=1S/C5H10N2O3/c6-5(9)10-4-2-7-1-3(4)8/h3-4,7-8H,1-2H2,(H2,6,9)/t3-,4-/m0/s1
InChIKeyBFTVBDZURFVGJB-IMJSIDKUSA-N
MW146.15 g/mol
LogP-1.59
Rot. Bonds1

About [(3S,4S)-4-hydroxypyrrolidin-3-yl] carbamate

[(3S,4S)-4-hydroxypyrrolidin-3-yl] carbamate (PubChem CID 89405614) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is [(3S,4S)-4-hydroxypyrrolidin-3-yl] carbamate.

Molecular Properties

Compound Name[(3S,4S)-4-hydroxypyrrolidin-3-yl] carbamate
PubChem CID89405614
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Name[(3S,4S)-4-hydroxypyrrolidin-3-yl] carbamate
SMILESNC(=O)O[C@H]1CNC[C@@H]1O
InChIInChI=1S/C5H10N2O3/c6-5(9)10-4-2-7-1-3(4)8/h3-4,7-8H,1-2H2,(H2,6,9)/t3-,4-/m0/s1
InChIKeyBFTVBDZURFVGJB-IMJSIDKUSA-N
XLogP-1.59
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-1.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-4-hydroxypyrrolidin-3-yl] carbamate?
The IUPAC name of [(3S,4S)-4-hydroxypyrrolidin-3-yl] carbamate (CID 89405614) is [(3S,4S)-4-hydroxypyrrolidin-3-yl] carbamate.
What is the SMILES notation for [(3S,4S)-4-hydroxypyrrolidin-3-yl] carbamate?
The canonical SMILES for [(3S,4S)-4-hydroxypyrrolidin-3-yl] carbamate is NC(=O)O[C@H]1CNC[C@@H]1O.
What is the InChIKey of [(3S,4S)-4-hydroxypyrrolidin-3-yl] carbamate?
The InChIKey is BFTVBDZURFVGJB-IMJSIDKUSA-N. The full InChI is InChI=1S/C5H10N2O3/c6-5(9)10-4-2-7-1-3(4)8/h3-4,7-8H,1-2H2,(H2,6,9)/t3-,4-/m0/s1.
What are the key properties of [(3S,4S)-4-hydroxypyrrolidin-3-yl] carbamate?
[(3S,4S)-4-hydroxypyrrolidin-3-yl] carbamate has a molecular weight of 146.15 g/mol, XLogP of -1.59, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-4-hydroxypyrrolidin-3-yl] carbamate is sourced from PubChem (CID 89405614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).