(3R)-3-amino-4-phenyl-1-pyrrolidin-1-ylbutan-2-ol

C14H22N2O — CID 143402490

IUPAC(3R)-3-amino-4-phenyl-1-pyrrolidin-1-ylbutan-2-ol
SMILESN[C@H](Cc1ccccc1)C(O)CN1CCCC1
InChIInChI=1S/C14H22N2O/c15-13(10-12-6-2-1-3-7-12)14(17)11-16-8-4-5-9-16/h1-3,6-7,13-14,17H,4-5,8-11,15H2/t13-,14?/m1/s1
InChIKeyMULSIWZJWNUTCQ-KWCCSABGSA-N
MW234.34 g/mol
LogP1.01
Rot. Bonds5

About (3R)-3-amino-4-phenyl-1-pyrrolidin-1-ylbutan-2-ol

(3R)-3-amino-4-phenyl-1-pyrrolidin-1-ylbutan-2-ol (PubChem CID 143402490) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (3R)-3-amino-4-phenyl-1-pyrrolidin-1-ylbutan-2-ol.

Molecular Properties

Compound Name(3R)-3-amino-4-phenyl-1-pyrrolidin-1-ylbutan-2-ol
PubChem CID143402490
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(3R)-3-amino-4-phenyl-1-pyrrolidin-1-ylbutan-2-ol
SMILESN[C@H](Cc1ccccc1)C(O)CN1CCCC1
InChIInChI=1S/C14H22N2O/c15-13(10-12-6-2-1-3-7-12)14(17)11-16-8-4-5-9-16/h1-3,6-7,13-14,17H,4-5,8-11,15H2/t13-,14?/m1/s1
InChIKeyMULSIWZJWNUTCQ-KWCCSABGSA-N
XLogP1.01
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-phenyl-1-pyrrolidin-1-ylbutan-2-ol?
The IUPAC name of (3R)-3-amino-4-phenyl-1-pyrrolidin-1-ylbutan-2-ol (CID 143402490) is (3R)-3-amino-4-phenyl-1-pyrrolidin-1-ylbutan-2-ol.
What is the SMILES notation for (3R)-3-amino-4-phenyl-1-pyrrolidin-1-ylbutan-2-ol?
The canonical SMILES for (3R)-3-amino-4-phenyl-1-pyrrolidin-1-ylbutan-2-ol is N[C@H](Cc1ccccc1)C(O)CN1CCCC1.
What is the InChIKey of (3R)-3-amino-4-phenyl-1-pyrrolidin-1-ylbutan-2-ol?
The InChIKey is MULSIWZJWNUTCQ-KWCCSABGSA-N. The full InChI is InChI=1S/C14H22N2O/c15-13(10-12-6-2-1-3-7-12)14(17)11-16-8-4-5-9-16/h1-3,6-7,13-14,17H,4-5,8-11,15H2/t13-,14?/m1/s1.
What are the key properties of (3R)-3-amino-4-phenyl-1-pyrrolidin-1-ylbutan-2-ol?
(3R)-3-amino-4-phenyl-1-pyrrolidin-1-ylbutan-2-ol has a molecular weight of 234.34 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-phenyl-1-pyrrolidin-1-ylbutan-2-ol is sourced from PubChem (CID 143402490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).