(E,2S,3S)-2-amino-5-phenylpent-4-ene-1,3-diol

C11H15NO2 — CID 10655413

IUPAC(E,2S,3S)-2-amino-5-phenylpent-4-ene-1,3-diol
SMILESN[C@@H](CO)[C@@H](O)/C=C/c1ccccc1
InChIInChI=1S/C11H15NO2/c12-10(8-13)11(14)7-6-9-4-2-1-3-5-9/h1-7,10-11,13-14H,8,12H2/b7-6+/t10-,11-/m0/s1
InChIKeyKAOAFWORMXLRDR-JYLGIWJRSA-N
MW193.25 g/mol
LogP0.38
Rot. Bonds4

About (E,2S,3S)-2-amino-5-phenylpent-4-ene-1,3-diol

(E,2S,3S)-2-amino-5-phenylpent-4-ene-1,3-diol (PubChem CID 10655413) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (E,2S,3S)-2-amino-5-phenylpent-4-ene-1,3-diol.

Molecular Properties

Compound Name(E,2S,3S)-2-amino-5-phenylpent-4-ene-1,3-diol
PubChem CID10655413
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(E,2S,3S)-2-amino-5-phenylpent-4-ene-1,3-diol
SMILESN[C@@H](CO)[C@@H](O)/C=C/c1ccccc1
InChIInChI=1S/C11H15NO2/c12-10(8-13)11(14)7-6-9-4-2-1-3-5-9/h1-7,10-11,13-14H,8,12H2/b7-6+/t10-,11-/m0/s1
InChIKeyKAOAFWORMXLRDR-JYLGIWJRSA-N
XLogP0.38
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E,2S,3S)-2-amino-5-phenylpent-4-ene-1,3-diol?
The IUPAC name of (E,2S,3S)-2-amino-5-phenylpent-4-ene-1,3-diol (CID 10655413) is (E,2S,3S)-2-amino-5-phenylpent-4-ene-1,3-diol.
What is the SMILES notation for (E,2S,3S)-2-amino-5-phenylpent-4-ene-1,3-diol?
The canonical SMILES for (E,2S,3S)-2-amino-5-phenylpent-4-ene-1,3-diol is N[C@@H](CO)[C@@H](O)/C=C/c1ccccc1.
What is the InChIKey of (E,2S,3S)-2-amino-5-phenylpent-4-ene-1,3-diol?
The InChIKey is KAOAFWORMXLRDR-JYLGIWJRSA-N. The full InChI is InChI=1S/C11H15NO2/c12-10(8-13)11(14)7-6-9-4-2-1-3-5-9/h1-7,10-11,13-14H,8,12H2/b7-6+/t10-,11-/m0/s1.
What are the key properties of (E,2S,3S)-2-amino-5-phenylpent-4-ene-1,3-diol?
(E,2S,3S)-2-amino-5-phenylpent-4-ene-1,3-diol has a molecular weight of 193.25 g/mol, XLogP of 0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,3S)-2-amino-5-phenylpent-4-ene-1,3-diol is sourced from PubChem (CID 10655413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).