[(3S,4S)-4-aminopyrrolidin-3-yl]methanol

C5H12N2O — CID 10866309

IUPAC[(3S,4S)-4-aminopyrrolidin-3-yl]methanol
SMILESN[C@@H]1CNC[C@@H]1CO
InChIInChI=1S/C5H12N2O/c6-5-2-7-1-4(5)3-8/h4-5,7-8H,1-3,6H2/t4-,5-/m1/s1
InChIKeyLLXSCSIQSWFARG-RFZPGFLSSA-N
MW116.16 g/mol
LogP-1.47
Rot. Bonds1

About [(3S,4S)-4-aminopyrrolidin-3-yl]methanol

[(3S,4S)-4-aminopyrrolidin-3-yl]methanol (PubChem CID 10866309) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is [(3S,4S)-4-aminopyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4S)-4-aminopyrrolidin-3-yl]methanol
PubChem CID10866309
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name[(3S,4S)-4-aminopyrrolidin-3-yl]methanol
SMILESN[C@@H]1CNC[C@@H]1CO
InChIInChI=1S/C5H12N2O/c6-5-2-7-1-4(5)3-8/h4-5,7-8H,1-3,6H2/t4-,5-/m1/s1
InChIKeyLLXSCSIQSWFARG-RFZPGFLSSA-N
XLogP-1.47
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R,5S)-3-amino-5-(hydroxymethyl)piperidin-4-ol
CID 101020792
(3R,4S)-4-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride
CID 121229170
(4-methylpyrrolidin-3-yl)methanol
CID 23396990
[(3S,4S)-4-methylpyrrolidin-3-yl]methanol
CID 157146152
(3R,4R)-5-(hydroxymethyl)piperidine-3,4-diol;(3R,4R,5R)-5-(hydroxymethyl)piperidine-3,4-diol
CID 159190224
(3S,4R,5S)-5-(hydroxymethyl)piperidine-3,4-diol
CID 10510991
2-(4-aminopyrrolidin-3-yl)acetonitrile
CID 105427251
[(3S,4S)-4-cyclopropylpyrrolidin-3-yl]methanol
CID 129408049
[(4S)-4-[(phosphanylamino)methyl]pyrrolidin-3-yl]methanol
CID 143159584
(3R,4R)-4-(cyclobutylmethyl)pyrrolidin-3-amine
CID 178190989
(3R,4S,5R,6R)-6-(hydroxymethyl)azepane-3,4,5-triol;hydrochloride
CID 56949706
(3R,4R)-4-aminopyrrolidin-3-ol
CID 10725920

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-4-aminopyrrolidin-3-yl]methanol?
The IUPAC name of [(3S,4S)-4-aminopyrrolidin-3-yl]methanol (CID 10866309) is [(3S,4S)-4-aminopyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S,4S)-4-aminopyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S,4S)-4-aminopyrrolidin-3-yl]methanol is N[C@@H]1CNC[C@@H]1CO.
What is the InChIKey of [(3S,4S)-4-aminopyrrolidin-3-yl]methanol?
The InChIKey is LLXSCSIQSWFARG-RFZPGFLSSA-N. The full InChI is InChI=1S/C5H12N2O/c6-5-2-7-1-4(5)3-8/h4-5,7-8H,1-3,6H2/t4-,5-/m1/s1.
What are the key properties of [(3S,4S)-4-aminopyrrolidin-3-yl]methanol?
[(3S,4S)-4-aminopyrrolidin-3-yl]methanol has a molecular weight of 116.16 g/mol, XLogP of -1.47, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-4-aminopyrrolidin-3-yl]methanol is sourced from PubChem (CID 10866309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).