(3R,4R)-4-[1-(1H-pyrrol-2-yl)ethylamino]pyrrolidin-3-ol

C10H17N3O — CID 130628669

IUPAC(3R,4R)-4-[1-(1H-pyrrol-2-yl)ethylamino]pyrrolidin-3-ol
SMILESCC(N[C@@H]1CNC[C@H]1O)c1ccc[nH]1
InChIInChI=1S/C10H17N3O/c1-7(8-3-2-4-12-8)13-9-5-11-6-10(9)14/h2-4,7,9-14H,5-6H2,1H3/t7?,9-,10-/m1/s1
InChIKeyPZDRBIGVDSIQCM-RWBYNWAKSA-N
MW195.27 g/mol
LogP-0.00
Rot. Bonds3

About (3R,4R)-4-[1-(1H-pyrrol-2-yl)ethylamino]pyrrolidin-3-ol

(3R,4R)-4-[1-(1H-pyrrol-2-yl)ethylamino]pyrrolidin-3-ol (PubChem CID 130628669) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is (3R,4R)-4-[1-(1H-pyrrol-2-yl)ethylamino]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-[1-(1H-pyrrol-2-yl)ethylamino]pyrrolidin-3-ol
PubChem CID130628669
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name(3R,4R)-4-[1-(1H-pyrrol-2-yl)ethylamino]pyrrolidin-3-ol
SMILESCC(N[C@@H]1CNC[C@H]1O)c1ccc[nH]1
InChIInChI=1S/C10H17N3O/c1-7(8-3-2-4-12-8)13-9-5-11-6-10(9)14/h2-4,7,9-14H,5-6H2,1H3/t7?,9-,10-/m1/s1
InChIKeyPZDRBIGVDSIQCM-RWBYNWAKSA-N
XLogP-0.00
TPSA60.08 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 5-0.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[1-(1H-pyrrol-2-yl)ethylamino]pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-[1-(1H-pyrrol-2-yl)ethylamino]pyrrolidin-3-ol (CID 130628669) is (3R,4R)-4-[1-(1H-pyrrol-2-yl)ethylamino]pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-[1-(1H-pyrrol-2-yl)ethylamino]pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-[1-(1H-pyrrol-2-yl)ethylamino]pyrrolidin-3-ol is CC(N[C@@H]1CNC[C@H]1O)c1ccc[nH]1.
What is the InChIKey of (3R,4R)-4-[1-(1H-pyrrol-2-yl)ethylamino]pyrrolidin-3-ol?
The InChIKey is PZDRBIGVDSIQCM-RWBYNWAKSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(8-3-2-4-12-8)13-9-5-11-6-10(9)14/h2-4,7,9-14H,5-6H2,1H3/t7?,9-,10-/m1/s1.
What are the key properties of (3R,4R)-4-[1-(1H-pyrrol-2-yl)ethylamino]pyrrolidin-3-ol?
(3R,4R)-4-[1-(1H-pyrrol-2-yl)ethylamino]pyrrolidin-3-ol has a molecular weight of 195.27 g/mol, XLogP of -0.00, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[1-(1H-pyrrol-2-yl)ethylamino]pyrrolidin-3-ol is sourced from PubChem (CID 130628669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).