1-[(1S,2S)-2-hydroxycyclopentyl]-5-(hydroxymethyl)pyrrolidin-3-ol

C10H19NO3 — CID 164661796

IUPAC1-[(1S,2S)-2-hydroxycyclopentyl]-5-(hydroxymethyl)pyrrolidin-3-ol
SMILESOCC1CC(O)CN1[C@H]1CCC[C@@H]1O
InChIInChI=1S/C10H19NO3/c12-6-7-4-8(13)5-11(7)9-2-1-3-10(9)14/h7-10,12-14H,1-6H2/t7?,8?,9-,10-/m0/s1
InChIKeyJROFSNYGDJIMAQ-QLEHZGMVSA-N
MW201.27 g/mol
LogP-0.67
Rot. Bonds2

About 1-[(1S,2S)-2-hydroxycyclopentyl]-5-(hydroxymethyl)pyrrolidin-3-ol

1-[(1S,2S)-2-hydroxycyclopentyl]-5-(hydroxymethyl)pyrrolidin-3-ol (PubChem CID 164661796) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-[(1S,2S)-2-hydroxycyclopentyl]-5-(hydroxymethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(1S,2S)-2-hydroxycyclopentyl]-5-(hydroxymethyl)pyrrolidin-3-ol
PubChem CID164661796
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name1-[(1S,2S)-2-hydroxycyclopentyl]-5-(hydroxymethyl)pyrrolidin-3-ol
SMILESOCC1CC(O)CN1[C@H]1CCC[C@@H]1O
InChIInChI=1S/C10H19NO3/c12-6-7-4-8(13)5-11(7)9-2-1-3-10(9)14/h7-10,12-14H,1-6H2/t7?,8?,9-,10-/m0/s1
InChIKeyJROFSNYGDJIMAQ-QLEHZGMVSA-N
XLogP-0.67
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(dimethylamino)methyl]-1-[(1S,2S)-2-hydroxycyclopentyl]pyrrolidin-3-ol
CID 102734826
trans-(1S,2S)-2-[2-(hydroxymethyl)piperidin-1-yl]cyclopentan-1-ol
CID 102734441
trans-(1R,2R)-2-[3-(hydroxymethyl)thiomorpholin-4-yl]cyclopentan-1-ol
CID 122237299
(3R,5S)-1-hydroxy-5-(hydroxymethyl)pyrrolidin-3-ol
CID 169224677
(2R,8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-2,8-diol
CID 10820830
2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]cyclohexane-1-carbonitrile
CID 66054814
5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol
CID 85416185
(3S)-3-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one
CID 124863883
(3R,4S)-1-(2-hydroxycyclopentyl)pyrrolidine-3,4-diol
CID 115278432
cis-(1S,2R)-2-pyrrolidin-1-ylcyclopentan-1-ol
CID 93317277
(3S,6S,7S,8R,8aS)-3-(hydroxymethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-6,7,8-triol
CID 10703323
ethane;(3R,5R)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol
CID 142979346

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-hydroxycyclopentyl]-5-(hydroxymethyl)pyrrolidin-3-ol?
The IUPAC name of 1-[(1S,2S)-2-hydroxycyclopentyl]-5-(hydroxymethyl)pyrrolidin-3-ol (CID 164661796) is 1-[(1S,2S)-2-hydroxycyclopentyl]-5-(hydroxymethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-[(1S,2S)-2-hydroxycyclopentyl]-5-(hydroxymethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-[(1S,2S)-2-hydroxycyclopentyl]-5-(hydroxymethyl)pyrrolidin-3-ol is OCC1CC(O)CN1[C@H]1CCC[C@@H]1O.
What is the InChIKey of 1-[(1S,2S)-2-hydroxycyclopentyl]-5-(hydroxymethyl)pyrrolidin-3-ol?
The InChIKey is JROFSNYGDJIMAQ-QLEHZGMVSA-N. The full InChI is InChI=1S/C10H19NO3/c12-6-7-4-8(13)5-11(7)9-2-1-3-10(9)14/h7-10,12-14H,1-6H2/t7?,8?,9-,10-/m0/s1.
What are the key properties of 1-[(1S,2S)-2-hydroxycyclopentyl]-5-(hydroxymethyl)pyrrolidin-3-ol?
1-[(1S,2S)-2-hydroxycyclopentyl]-5-(hydroxymethyl)pyrrolidin-3-ol has a molecular weight of 201.27 g/mol, XLogP of -0.67, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-2-hydroxycyclopentyl]-5-(hydroxymethyl)pyrrolidin-3-ol is sourced from PubChem (CID 164661796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).