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

C12H24N2O2 — CID 102734826

IUPAC5-[(dimethylamino)methyl]-1-[(1S,2S)-2-hydroxycyclopentyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1[C@H]1CCC[C@@H]1O
InChIInChI=1S/C12H24N2O2/c1-13(2)7-9-6-10(15)8-14(9)11-4-3-5-12(11)16/h9-12,15-16H,3-8H2,1-2H3/t9?,10?,11-,12-/m0/s1
InChIKeyNBBZJCPWZQCCGY-QQFIATSDSA-N
MW228.34 g/mol
LogP-0.10
Rot. Bonds3

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

5-[(dimethylamino)methyl]-1-[(1S,2S)-2-hydroxycyclopentyl]pyrrolidin-3-ol (PubChem CID 102734826) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-[(1S,2S)-2-hydroxycyclopentyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-[(1S,2S)-2-hydroxycyclopentyl]pyrrolidin-3-ol
PubChem CID102734826
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name5-[(dimethylamino)methyl]-1-[(1S,2S)-2-hydroxycyclopentyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1[C@H]1CCC[C@@H]1O
InChIInChI=1S/C12H24N2O2/c1-13(2)7-9-6-10(15)8-14(9)11-4-3-5-12(11)16/h9-12,15-16H,3-8H2,1-2H3/t9?,10?,11-,12-/m0/s1
InChIKeyNBBZJCPWZQCCGY-QQFIATSDSA-N
XLogP-0.10
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-1-[(1S,2S)-2-hydroxycyclopentyl]pyrrolidin-3-ol?
The IUPAC name of 5-[(dimethylamino)methyl]-1-[(1S,2S)-2-hydroxycyclopentyl]pyrrolidin-3-ol (CID 102734826) is 5-[(dimethylamino)methyl]-1-[(1S,2S)-2-hydroxycyclopentyl]pyrrolidin-3-ol.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-[(1S,2S)-2-hydroxycyclopentyl]pyrrolidin-3-ol?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-[(1S,2S)-2-hydroxycyclopentyl]pyrrolidin-3-ol is CN(C)CC1CC(O)CN1[C@H]1CCC[C@@H]1O.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-[(1S,2S)-2-hydroxycyclopentyl]pyrrolidin-3-ol?
The InChIKey is NBBZJCPWZQCCGY-QQFIATSDSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-13(2)7-9-6-10(15)8-14(9)11-4-3-5-12(11)16/h9-12,15-16H,3-8H2,1-2H3/t9?,10?,11-,12-/m0/s1.
What are the key properties of 5-[(dimethylamino)methyl]-1-[(1S,2S)-2-hydroxycyclopentyl]pyrrolidin-3-ol?
5-[(dimethylamino)methyl]-1-[(1S,2S)-2-hydroxycyclopentyl]pyrrolidin-3-ol has a molecular weight of 228.34 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1-[(1S,2S)-2-hydroxycyclopentyl]pyrrolidin-3-ol is sourced from PubChem (CID 102734826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).