(3R,4R)-4-[(3R)-3-aminopyrrolidin-1-yl]pyrrolidin-3-ol

C8H17N3O — CID 130905202

IUPAC(3R,4R)-4-[(3R)-3-aminopyrrolidin-1-yl]pyrrolidin-3-ol
SMILESN[C@@H]1CCN([C@@H]2CNC[C@H]2O)C1
InChIInChI=1S/C8H17N3O/c9-6-1-2-11(5-6)7-3-10-4-8(7)12/h6-8,10,12H,1-5,9H2/t6-,7-,8-/m1/s1
InChIKeyRCOFAMXAXJOBCB-BWZBUEFSSA-N
MW171.24 g/mol
LogP-1.65
Rot. Bonds1

About (3R,4R)-4-[(3R)-3-aminopyrrolidin-1-yl]pyrrolidin-3-ol

(3R,4R)-4-[(3R)-3-aminopyrrolidin-1-yl]pyrrolidin-3-ol (PubChem CID 130905202) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is (3R,4R)-4-[(3R)-3-aminopyrrolidin-1-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-[(3R)-3-aminopyrrolidin-1-yl]pyrrolidin-3-ol
PubChem CID130905202
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name(3R,4R)-4-[(3R)-3-aminopyrrolidin-1-yl]pyrrolidin-3-ol
SMILESN[C@@H]1CCN([C@@H]2CNC[C@H]2O)C1
InChIInChI=1S/C8H17N3O/c9-6-1-2-11(5-6)7-3-10-4-8(7)12/h6-8,10,12H,1-5,9H2/t6-,7-,8-/m1/s1
InChIKeyRCOFAMXAXJOBCB-BWZBUEFSSA-N
XLogP-1.65
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-1.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R,4R)-4-hydroxypyrrolidin-3-yl]pyrrolidine-3-carboxamide
CID 122236976
(3R,4R)-4-(3-propan-2-ylpyrrolidin-1-yl)pyrrolidin-3-ol
CID 122236872
4-(3-methylpiperidin-1-yl)pyrrolidin-3-ol
CID 63703939
(3S,4R)-4-pyrrolidin-1-ylpyrrolidin-3-ol
CID 95118007
4-[4-(dimethylamino)piperidin-1-yl]pyrrolidin-3-ol
CID 63702628
4-piperazin-1-ylpyrrolidin-3-ol
CID 63701856
(3R,4R)-4-(1-oxo-1,4-thiazinan-4-yl)pyrrolidin-3-ol
CID 122236780
(3R,4R)-4-(2-methyl-1-oxo-1,4-thiazinan-4-yl)pyrrolidin-3-ol;hydrochloride
CID 131182973
4-(3,5-dimethylpiperidin-1-yl)pyrrolidin-3-ol
CID 63703405
(3R,4R)-4-(6-methyl-1,4-oxazepan-4-yl)pyrrolidin-3-ol
CID 122237207
4-(3,4-dimethoxypyrrolidin-1-yl)pyrrolidin-3-ol
CID 103533926
4-(4-ethylpiperazin-1-yl)pyrrolidin-3-ol
CID 63704462

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[(3R)-3-aminopyrrolidin-1-yl]pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-[(3R)-3-aminopyrrolidin-1-yl]pyrrolidin-3-ol (CID 130905202) is (3R,4R)-4-[(3R)-3-aminopyrrolidin-1-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-[(3R)-3-aminopyrrolidin-1-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-[(3R)-3-aminopyrrolidin-1-yl]pyrrolidin-3-ol is N[C@@H]1CCN([C@@H]2CNC[C@H]2O)C1.
What is the InChIKey of (3R,4R)-4-[(3R)-3-aminopyrrolidin-1-yl]pyrrolidin-3-ol?
The InChIKey is RCOFAMXAXJOBCB-BWZBUEFSSA-N. The full InChI is InChI=1S/C8H17N3O/c9-6-1-2-11(5-6)7-3-10-4-8(7)12/h6-8,10,12H,1-5,9H2/t6-,7-,8-/m1/s1.
What are the key properties of (3R,4R)-4-[(3R)-3-aminopyrrolidin-1-yl]pyrrolidin-3-ol?
(3R,4R)-4-[(3R)-3-aminopyrrolidin-1-yl]pyrrolidin-3-ol has a molecular weight of 171.24 g/mol, XLogP of -1.65, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[(3R)-3-aminopyrrolidin-1-yl]pyrrolidin-3-ol is sourced from PubChem (CID 130905202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).