1-(3-amino-2,2-dimethyl-3-phenylpropyl)pyrrolidine-3,4-diol

C15H24N2O2 — CID 106674147

IUPAC1-(3-amino-2,2-dimethyl-3-phenylpropyl)pyrrolidine-3,4-diol
SMILESCC(C)(CN1CC(O)C(O)C1)C(N)c1ccccc1
InChIInChI=1S/C15H24N2O2/c1-15(2,10-17-8-12(18)13(19)9-17)14(16)11-6-4-3-5-7-11/h3-7,12-14,18-19H,8-10,16H2,1-2H3
InChIKeyLJYOAANYSBBFEZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP0.75
Rot. Bonds4

About 1-(3-amino-2,2-dimethyl-3-phenylpropyl)pyrrolidine-3,4-diol

1-(3-amino-2,2-dimethyl-3-phenylpropyl)pyrrolidine-3,4-diol (PubChem CID 106674147) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(3-amino-2,2-dimethyl-3-phenylpropyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-(3-amino-2,2-dimethyl-3-phenylpropyl)pyrrolidine-3,4-diol
PubChem CID106674147
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-(3-amino-2,2-dimethyl-3-phenylpropyl)pyrrolidine-3,4-diol
SMILESCC(C)(CN1CC(O)C(O)C1)C(N)c1ccccc1
InChIInChI=1S/C15H24N2O2/c1-15(2,10-17-8-12(18)13(19)9-17)14(16)11-6-4-3-5-7-11/h3-7,12-14,18-19H,8-10,16H2,1-2H3
InChIKeyLJYOAANYSBBFEZ-UHFFFAOYSA-N
XLogP0.75
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2,2-dimethyl-3-phenylpropyl)pyrrolidine-3,4-diol?
The IUPAC name of 1-(3-amino-2,2-dimethyl-3-phenylpropyl)pyrrolidine-3,4-diol (CID 106674147) is 1-(3-amino-2,2-dimethyl-3-phenylpropyl)pyrrolidine-3,4-diol.
What is the SMILES notation for 1-(3-amino-2,2-dimethyl-3-phenylpropyl)pyrrolidine-3,4-diol?
The canonical SMILES for 1-(3-amino-2,2-dimethyl-3-phenylpropyl)pyrrolidine-3,4-diol is CC(C)(CN1CC(O)C(O)C1)C(N)c1ccccc1.
What is the InChIKey of 1-(3-amino-2,2-dimethyl-3-phenylpropyl)pyrrolidine-3,4-diol?
The InChIKey is LJYOAANYSBBFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(2,10-17-8-12(18)13(19)9-17)14(16)11-6-4-3-5-7-11/h3-7,12-14,18-19H,8-10,16H2,1-2H3.
What are the key properties of 1-(3-amino-2,2-dimethyl-3-phenylpropyl)pyrrolidine-3,4-diol?
1-(3-amino-2,2-dimethyl-3-phenylpropyl)pyrrolidine-3,4-diol has a molecular weight of 264.37 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2,2-dimethyl-3-phenylpropyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 106674147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).