(E,3R,4S)-4-amino-1-phenylpent-1-en-3-ol

C11H15NO — CID 5459034

IUPAC(E,3R,4S)-4-amino-1-phenylpent-1-en-3-ol
SMILESC[C@H](N)[C@H](O)/C=C/c1ccccc1
InChIInChI=1S/C11H15NO/c1-9(12)11(13)8-7-10-5-3-2-4-6-10/h2-9,11,13H,12H2,1H3/b8-7+/t9-,11+/m0/s1
InChIKeyMSCXFOZFDVCLHC-PRXIFDQHSA-N
MW177.25 g/mol
LogP1.41
Rot. Bonds3

About (E,3R,4S)-4-amino-1-phenylpent-1-en-3-ol

(E,3R,4S)-4-amino-1-phenylpent-1-en-3-ol (PubChem CID 5459034) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (E,3R,4S)-4-amino-1-phenylpent-1-en-3-ol.

Molecular Properties

Compound Name(E,3R,4S)-4-amino-1-phenylpent-1-en-3-ol
PubChem CID5459034
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(E,3R,4S)-4-amino-1-phenylpent-1-en-3-ol
SMILESC[C@H](N)[C@H](O)/C=C/c1ccccc1
InChIInChI=1S/C11H15NO/c1-9(12)11(13)8-7-10-5-3-2-4-6-10/h2-9,11,13H,12H2,1H3/b8-7+/t9-,11+/m0/s1
InChIKeyMSCXFOZFDVCLHC-PRXIFDQHSA-N
XLogP1.41
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E,3R,4S)-4-amino-1-phenylpent-1-en-3-ol?
The IUPAC name of (E,3R,4S)-4-amino-1-phenylpent-1-en-3-ol (CID 5459034) is (E,3R,4S)-4-amino-1-phenylpent-1-en-3-ol.
What is the SMILES notation for (E,3R,4S)-4-amino-1-phenylpent-1-en-3-ol?
The canonical SMILES for (E,3R,4S)-4-amino-1-phenylpent-1-en-3-ol is C[C@H](N)[C@H](O)/C=C/c1ccccc1.
What is the InChIKey of (E,3R,4S)-4-amino-1-phenylpent-1-en-3-ol?
The InChIKey is MSCXFOZFDVCLHC-PRXIFDQHSA-N. The full InChI is InChI=1S/C11H15NO/c1-9(12)11(13)8-7-10-5-3-2-4-6-10/h2-9,11,13H,12H2,1H3/b8-7+/t9-,11+/m0/s1.
What are the key properties of (E,3R,4S)-4-amino-1-phenylpent-1-en-3-ol?
(E,3R,4S)-4-amino-1-phenylpent-1-en-3-ol has a molecular weight of 177.25 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R,4S)-4-amino-1-phenylpent-1-en-3-ol is sourced from PubChem (CID 5459034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).