(2S)-2-amino-5-hydroxy-1-phenylpentan-3-one;ethane

C13H21NO2 — CID 143599875

IUPAC(2S)-2-amino-5-hydroxy-1-phenylpentan-3-one;ethane
SMILESCC.N[C@@H](Cc1ccccc1)C(=O)CCO
InChIInChI=1S/C11H15NO2.C2H6/c12-10(11(14)6-7-13)8-9-4-2-1-3-5-9;1-2/h1-5,10,13H,6-8,12H2;1-2H3/t10-;/m0./s1
InChIKeySNTZWMRCLQIIDY-PPHPATTJSA-N
MW223.32 g/mol
LogP1.53
Rot. Bonds5

About (2S)-2-amino-5-hydroxy-1-phenylpentan-3-one;ethane

(2S)-2-amino-5-hydroxy-1-phenylpentan-3-one;ethane (PubChem CID 143599875) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is (2S)-2-amino-5-hydroxy-1-phenylpentan-3-one;ethane.

Molecular Properties

Compound Name(2S)-2-amino-5-hydroxy-1-phenylpentan-3-one;ethane
PubChem CID143599875
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name(2S)-2-amino-5-hydroxy-1-phenylpentan-3-one;ethane
SMILESCC.N[C@@H](Cc1ccccc1)C(=O)CCO
InChIInChI=1S/C11H15NO2.C2H6/c12-10(11(14)6-7-13)8-9-4-2-1-3-5-9;1-2/h1-5,10,13H,6-8,12H2;1-2H3/t10-;/m0./s1
InChIKeySNTZWMRCLQIIDY-PPHPATTJSA-N
XLogP1.53
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-phenylheptan-3-one;hydrochloride
CID 142731464
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
2-amino-3-phenylpropanoic acid;ethane
CID 91596942
3-amino-1,4-diphenylbutan-2-one
CID 20792391
(3S)-1,3-diamino-4-phenylbutan-2-one
CID 69216452
(6S)-6-amino-5-oxo-7-phenylheptanoic acid;hydrochloride
CID 67808687
2-amino-5-ethoxy-1-phenylpentan-3-one
CID 129147916
2-amino-1-phenyldecan-3-one;hydrochloride
CID 3073894
(2S)-2-amino-3-phenylpropanoic acid;bis((2S)-2-aminopropanoic acid)
CID 67264912
(2S)-2-amino-3-phenylpropanoic acid;ethanol
CID 129063061
2-amino-N-(3-hydroxypropyl)-3-phenylpropanamide
CID 14308256
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-hydroxy-1-phenylpentan-3-one;ethane?
The IUPAC name of (2S)-2-amino-5-hydroxy-1-phenylpentan-3-one;ethane (CID 143599875) is (2S)-2-amino-5-hydroxy-1-phenylpentan-3-one;ethane.
What is the SMILES notation for (2S)-2-amino-5-hydroxy-1-phenylpentan-3-one;ethane?
The canonical SMILES for (2S)-2-amino-5-hydroxy-1-phenylpentan-3-one;ethane is CC.N[C@@H](Cc1ccccc1)C(=O)CCO.
What is the InChIKey of (2S)-2-amino-5-hydroxy-1-phenylpentan-3-one;ethane?
The InChIKey is SNTZWMRCLQIIDY-PPHPATTJSA-N. The full InChI is InChI=1S/C11H15NO2.C2H6/c12-10(11(14)6-7-13)8-9-4-2-1-3-5-9;1-2/h1-5,10,13H,6-8,12H2;1-2H3/t10-;/m0./s1.
What are the key properties of (2S)-2-amino-5-hydroxy-1-phenylpentan-3-one;ethane?
(2S)-2-amino-5-hydroxy-1-phenylpentan-3-one;ethane has a molecular weight of 223.32 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-hydroxy-1-phenylpentan-3-one;ethane is sourced from PubChem (CID 143599875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).