1-[3-[(1R)-2-amino-1-hydroxyethyl]-5-hydroxyphenyl]propane-1,2-diol

C11H17NO4 — CID 70004410

IUPAC1-[3-[(1R)-2-amino-1-hydroxyethyl]-5-hydroxyphenyl]propane-1,2-diol
SMILESCC(O)C(O)c1cc(O)cc([C@@H](O)CN)c1
InChIInChI=1S/C11H17NO4/c1-6(13)11(16)8-2-7(10(15)5-12)3-9(14)4-8/h2-4,6,10-11,13-16H,5,12H2,1H3/t6?,10-,11?/m0/s1
InChIKeyGCZRRJIVAKTUQE-JEWWZCJESA-N
MW227.26 g/mol
LogP-0.20
Rot. Bonds4

About 1-[3-[(1R)-2-amino-1-hydroxyethyl]-5-hydroxyphenyl]propane-1,2-diol

1-[3-[(1R)-2-amino-1-hydroxyethyl]-5-hydroxyphenyl]propane-1,2-diol (PubChem CID 70004410) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-[3-[(1R)-2-amino-1-hydroxyethyl]-5-hydroxyphenyl]propane-1,2-diol.

Molecular Properties

Compound Name1-[3-[(1R)-2-amino-1-hydroxyethyl]-5-hydroxyphenyl]propane-1,2-diol
PubChem CID70004410
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name1-[3-[(1R)-2-amino-1-hydroxyethyl]-5-hydroxyphenyl]propane-1,2-diol
SMILESCC(O)C(O)c1cc(O)cc([C@@H](O)CN)c1
InChIInChI=1S/C11H17NO4/c1-6(13)11(16)8-2-7(10(15)5-12)3-9(14)4-8/h2-4,6,10-11,13-16H,5,12H2,1H3/t6?,10-,11?/m0/s1
InChIKeyGCZRRJIVAKTUQE-JEWWZCJESA-N
XLogP-0.20
TPSA106.94 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1R)-2-amino-1-hydroxyethyl]-5-hydroxyphenyl]propane-1,2-diol?
The IUPAC name of 1-[3-[(1R)-2-amino-1-hydroxyethyl]-5-hydroxyphenyl]propane-1,2-diol (CID 70004410) is 1-[3-[(1R)-2-amino-1-hydroxyethyl]-5-hydroxyphenyl]propane-1,2-diol.
What is the SMILES notation for 1-[3-[(1R)-2-amino-1-hydroxyethyl]-5-hydroxyphenyl]propane-1,2-diol?
The canonical SMILES for 1-[3-[(1R)-2-amino-1-hydroxyethyl]-5-hydroxyphenyl]propane-1,2-diol is CC(O)C(O)c1cc(O)cc([C@@H](O)CN)c1.
What is the InChIKey of 1-[3-[(1R)-2-amino-1-hydroxyethyl]-5-hydroxyphenyl]propane-1,2-diol?
The InChIKey is GCZRRJIVAKTUQE-JEWWZCJESA-N. The full InChI is InChI=1S/C11H17NO4/c1-6(13)11(16)8-2-7(10(15)5-12)3-9(14)4-8/h2-4,6,10-11,13-16H,5,12H2,1H3/t6?,10-,11?/m0/s1.
What are the key properties of 1-[3-[(1R)-2-amino-1-hydroxyethyl]-5-hydroxyphenyl]propane-1,2-diol?
1-[3-[(1R)-2-amino-1-hydroxyethyl]-5-hydroxyphenyl]propane-1,2-diol has a molecular weight of 227.26 g/mol, XLogP of -0.20, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1R)-2-amino-1-hydroxyethyl]-5-hydroxyphenyl]propane-1,2-diol is sourced from PubChem (CID 70004410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).