(2S,3R)-2-amino-5-phenylpentane-1,3-diol

C11H17NO2 — CID 15486071

IUPAC(2S,3R)-2-amino-5-phenylpentane-1,3-diol
SMILESN[C@@H](CO)[C@H](O)CCc1ccccc1
InChIInChI=1S/C11H17NO2/c12-10(8-13)11(14)7-6-9-4-2-1-3-5-9/h1-5,10-11,13-14H,6-8,12H2/t10-,11+/m0/s1
InChIKeyZWIBASUVFXTOOX-WDEREUQCSA-N
MW195.26 g/mol
LogP0.30
Rot. Bonds5

About (2S,3R)-2-amino-5-phenylpentane-1,3-diol

(2S,3R)-2-amino-5-phenylpentane-1,3-diol (PubChem CID 15486071) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (2S,3R)-2-amino-5-phenylpentane-1,3-diol.

Molecular Properties

Compound Name(2S,3R)-2-amino-5-phenylpentane-1,3-diol
PubChem CID15486071
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(2S,3R)-2-amino-5-phenylpentane-1,3-diol
SMILESN[C@@H](CO)[C@H](O)CCc1ccccc1
InChIInChI=1S/C11H17NO2/c12-10(8-13)11(14)7-6-9-4-2-1-3-5-9/h1-5,10-11,13-14H,6-8,12H2/t10-,11+/m0/s1
InChIKeyZWIBASUVFXTOOX-WDEREUQCSA-N
XLogP0.30
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-5-phenylpentane-1,3-diol?
The IUPAC name of (2S,3R)-2-amino-5-phenylpentane-1,3-diol (CID 15486071) is (2S,3R)-2-amino-5-phenylpentane-1,3-diol.
What is the SMILES notation for (2S,3R)-2-amino-5-phenylpentane-1,3-diol?
The canonical SMILES for (2S,3R)-2-amino-5-phenylpentane-1,3-diol is N[C@@H](CO)[C@H](O)CCc1ccccc1.
What is the InChIKey of (2S,3R)-2-amino-5-phenylpentane-1,3-diol?
The InChIKey is ZWIBASUVFXTOOX-WDEREUQCSA-N. The full InChI is InChI=1S/C11H17NO2/c12-10(8-13)11(14)7-6-9-4-2-1-3-5-9/h1-5,10-11,13-14H,6-8,12H2/t10-,11+/m0/s1.
What are the key properties of (2S,3R)-2-amino-5-phenylpentane-1,3-diol?
(2S,3R)-2-amino-5-phenylpentane-1,3-diol has a molecular weight of 195.26 g/mol, XLogP of 0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-5-phenylpentane-1,3-diol is sourced from PubChem (CID 15486071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).