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

C5H10N2O3 — CID 175189590

IUPAC[(3S,4R)-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+/m1/s1
InChIKeyBFTVBDZURFVGJB-DMTCNVIQSA-N
MW146.15 g/mol
LogP-1.59
Rot. Bonds1

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

[(3S,4R)-4-hydroxypyrrolidin-3-yl] carbamate (PubChem CID 175189590) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is [(3S,4R)-4-hydroxypyrrolidin-3-yl] carbamate.

Molecular Properties

Compound Name[(3S,4R)-4-hydroxypyrrolidin-3-yl] carbamate
PubChem CID175189590
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Name[(3S,4R)-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+/m1/s1
InChIKeyBFTVBDZURFVGJB-DMTCNVIQSA-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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Related Compounds

[(3S,4S)-4-hydroxypyrrolidin-3-yl] carbamate
CID 89405614
(3S,4R)-4-methoxypyrrolidin-3-ol
CID 59034600
4-buta-1,3-dien-2-yloxypyrrolidin-3-ol
CID 123215135
[(1R,2S)-2-hydroxycyclopentyl] carbamate
CID 175128754
2-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide
CID 91590285
[(3S,4R)-3-fluoropiperidin-4-yl] carbamate
CID 175145817
[(1R,2R)-2-methylcyclopropyl] carbamate
CID 171719227
4-(4-iodophenoxy)pyrrolidin-3-ol
CID 63702649
(3R,4R)-4-propan-2-yloxypyrrolidin-3-ol
CID 67293919
(4S)-4-propan-2-yloxypyrrolidin-3-ol
CID 67293813
(4S)-4-(1-methylcyclopentyl)oxypyrrolidin-3-ol
CID 67300075
(3S,4R)-4-(4-fluorophenoxy)pyrrolidin-3-ol
CID 67294277

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-4-hydroxypyrrolidin-3-yl] carbamate?
The IUPAC name of [(3S,4R)-4-hydroxypyrrolidin-3-yl] carbamate (CID 175189590) is [(3S,4R)-4-hydroxypyrrolidin-3-yl] carbamate.
What is the SMILES notation for [(3S,4R)-4-hydroxypyrrolidin-3-yl] carbamate?
The canonical SMILES for [(3S,4R)-4-hydroxypyrrolidin-3-yl] carbamate is NC(=O)O[C@H]1CNC[C@H]1O.
What is the InChIKey of [(3S,4R)-4-hydroxypyrrolidin-3-yl] carbamate?
The InChIKey is BFTVBDZURFVGJB-DMTCNVIQSA-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+/m1/s1.
What are the key properties of [(3S,4R)-4-hydroxypyrrolidin-3-yl] carbamate?
[(3S,4R)-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,4R)-4-hydroxypyrrolidin-3-yl] carbamate is sourced from PubChem (CID 175189590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).