1-[2-amino-1-(3-methoxyphenyl)butyl]pyrrolidine-3,4-diol

C15H24N2O3 — CID 106667955

IUPAC1-[2-amino-1-(3-methoxyphenyl)butyl]pyrrolidine-3,4-diol
SMILESCCC(N)C(c1cccc(OC)c1)N1CC(O)C(O)C1
InChIInChI=1S/C15H24N2O3/c1-3-12(16)15(17-8-13(18)14(19)9-17)10-5-4-6-11(7-10)20-2/h4-7,12-15,18-19H,3,8-9,16H2,1-2H3
InChIKeyGNZKMYMHFDDKQO-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.51
Rot. Bonds5

About 1-[2-amino-1-(3-methoxyphenyl)butyl]pyrrolidine-3,4-diol

1-[2-amino-1-(3-methoxyphenyl)butyl]pyrrolidine-3,4-diol (PubChem CID 106667955) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[2-amino-1-(3-methoxyphenyl)butyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[2-amino-1-(3-methoxyphenyl)butyl]pyrrolidine-3,4-diol
PubChem CID106667955
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-[2-amino-1-(3-methoxyphenyl)butyl]pyrrolidine-3,4-diol
SMILESCCC(N)C(c1cccc(OC)c1)N1CC(O)C(O)C1
InChIInChI=1S/C15H24N2O3/c1-3-12(16)15(17-8-13(18)14(19)9-17)10-5-4-6-11(7-10)20-2/h4-7,12-15,18-19H,3,8-9,16H2,1-2H3
InChIKeyGNZKMYMHFDDKQO-UHFFFAOYSA-N
XLogP0.51
TPSA78.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[2-amino-1-(3-methoxyphenyl)butyl]pyrrolidin-3-yl]ethanol
CID 115964938
1-(3-methoxyphenyl)-1-(1,4-oxazepan-4-yl)butan-2-amine
CID 62987584
1-[2-amino-1-(3-methoxyphenyl)propyl]-4-methylpiperidin-3-ol
CID 102956038
1-(3-methoxyphenyl)-1-(1,2,4-triazol-1-yl)butan-2-amine
CID 55018404
1-[2-amino-1-(4-bromophenyl)butyl]pyrrolidine-3,4-diol
CID 106667890
1-(3-bromophenyl)-1-(3,4-dimethylpyrrolidin-1-yl)butan-2-amine
CID 79189044
1-(3-fluorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)butan-2-amine
CID 114537081
1-(3-chlorophenyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-2-amine
CID 66393212
(1R,2S)-2-amino-1-(3-methoxyphenyl)pentan-1-ol;hydrochloride
CID 66812884
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(3-bromophenyl)butan-2-amine
CID 115559123
(1S,2R)-1-amino-1-(3-methoxyphenyl)butan-2-ol;hydrochloride
CID 171161967
1-butan-2-yloxy-1-(3-methoxyphenyl)butan-2-amine
CID 55018410

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(3-methoxyphenyl)butyl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[2-amino-1-(3-methoxyphenyl)butyl]pyrrolidine-3,4-diol (CID 106667955) is 1-[2-amino-1-(3-methoxyphenyl)butyl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[2-amino-1-(3-methoxyphenyl)butyl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[2-amino-1-(3-methoxyphenyl)butyl]pyrrolidine-3,4-diol is CCC(N)C(c1cccc(OC)c1)N1CC(O)C(O)C1.
What is the InChIKey of 1-[2-amino-1-(3-methoxyphenyl)butyl]pyrrolidine-3,4-diol?
The InChIKey is GNZKMYMHFDDKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-12(16)15(17-8-13(18)14(19)9-17)10-5-4-6-11(7-10)20-2/h4-7,12-15,18-19H,3,8-9,16H2,1-2H3.
What are the key properties of 1-[2-amino-1-(3-methoxyphenyl)butyl]pyrrolidine-3,4-diol?
1-[2-amino-1-(3-methoxyphenyl)butyl]pyrrolidine-3,4-diol has a molecular weight of 280.37 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(3-methoxyphenyl)butyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106667955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).