(E,2R,3S)-3-hydroxy-2-methyl-5-phenylpent-4-enamide

C12H15NO2 — CID 59408285

IUPAC(E,2R,3S)-3-hydroxy-2-methyl-5-phenylpent-4-enamide
SMILESC[C@@H](C(N)=O)[C@@H](O)/C=C/c1ccccc1
InChIInChI=1S/C12H15NO2/c1-9(12(13)15)11(14)8-7-10-5-3-2-4-6-10/h2-9,11,14H,1H3,(H2,13,15)/b8-7+/t9-,11+/m1/s1
InChIKeyMKGILNMRABENQZ-KLCSSHHSSA-N
MW205.26 g/mol
LogP1.18
Rot. Bonds4

About (E,2R,3S)-3-hydroxy-2-methyl-5-phenylpent-4-enamide

(E,2R,3S)-3-hydroxy-2-methyl-5-phenylpent-4-enamide (PubChem CID 59408285) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (E,2R,3S)-3-hydroxy-2-methyl-5-phenylpent-4-enamide.

Molecular Properties

Compound Name(E,2R,3S)-3-hydroxy-2-methyl-5-phenylpent-4-enamide
PubChem CID59408285
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(E,2R,3S)-3-hydroxy-2-methyl-5-phenylpent-4-enamide
SMILESC[C@@H](C(N)=O)[C@@H](O)/C=C/c1ccccc1
InChIInChI=1S/C12H15NO2/c1-9(12(13)15)11(14)8-7-10-5-3-2-4-6-10/h2-9,11,14H,1H3,(H2,13,15)/b8-7+/t9-,11+/m1/s1
InChIKeyMKGILNMRABENQZ-KLCSSHHSSA-N
XLogP1.18
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E,2R,3S)-3-hydroxy-2-methyl-5-phenylpent-4-enamide?
The IUPAC name of (E,2R,3S)-3-hydroxy-2-methyl-5-phenylpent-4-enamide (CID 59408285) is (E,2R,3S)-3-hydroxy-2-methyl-5-phenylpent-4-enamide.
What is the SMILES notation for (E,2R,3S)-3-hydroxy-2-methyl-5-phenylpent-4-enamide?
The canonical SMILES for (E,2R,3S)-3-hydroxy-2-methyl-5-phenylpent-4-enamide is C[C@@H](C(N)=O)[C@@H](O)/C=C/c1ccccc1.
What is the InChIKey of (E,2R,3S)-3-hydroxy-2-methyl-5-phenylpent-4-enamide?
The InChIKey is MKGILNMRABENQZ-KLCSSHHSSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9(12(13)15)11(14)8-7-10-5-3-2-4-6-10/h2-9,11,14H,1H3,(H2,13,15)/b8-7+/t9-,11+/m1/s1.
What are the key properties of (E,2R,3S)-3-hydroxy-2-methyl-5-phenylpent-4-enamide?
(E,2R,3S)-3-hydroxy-2-methyl-5-phenylpent-4-enamide has a molecular weight of 205.26 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,3S)-3-hydroxy-2-methyl-5-phenylpent-4-enamide is sourced from PubChem (CID 59408285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).