methyl (2S)-2-amino-4-phenylbutanoate

C11H15NO2 — CID 10867190

IUPACmethyl (2S)-2-amino-4-phenylbutanoate
SMILESCOC(=O)[C@@H](N)CCc1ccccc1
InChIInChI=1S/C11H15NO2/c1-14-11(13)10(12)8-7-9-5-3-2-4-6-9/h2-6,10H,7-8,12H2,1H3/t10-/m0/s1
InChIKeyYEPNFOMBMXWUOG-JTQLQIEISA-N
MW193.25 g/mol
LogP1.12
Rot. Bonds4

About methyl (2S)-2-amino-4-phenylbutanoate

methyl (2S)-2-amino-4-phenylbutanoate (PubChem CID 10867190) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is methyl (2S)-2-amino-4-phenylbutanoate.

Molecular Properties

Compound Namemethyl (2S)-2-amino-4-phenylbutanoate
PubChem CID10867190
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namemethyl (2S)-2-amino-4-phenylbutanoate
SMILESCOC(=O)[C@@H](N)CCc1ccccc1
InChIInChI=1S/C11H15NO2/c1-14-11(13)10(12)8-7-9-5-3-2-4-6-9/h2-6,10H,7-8,12H2,1H3/t10-/m0/s1
InChIKeyYEPNFOMBMXWUOG-JTQLQIEISA-N
XLogP1.12
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

acetic acid;methyl (2S)-2-amino-4-phenylbutanoate
CID 170899372
methyl 2-amino-6-phenylhexanoate
CID 76830671
methyl (2R)-2-amino-5-phenylpentanoate;hydrochloride
CID 137346959
methyl 2-amino-4-(4-propylphenyl)butanoate
CID 116851455
methyl (2S)-2-amino-4-(4-methoxyphenyl)butanoate
CID 171935110
methyl 2-amino-4-(3-methylphenyl)butanoate
CID 116851529
methyl (2R)-2-hydroxy-4-phenylbutanoate
CID 10878023
methyl (2S)-2-[[(2R)-2-amino-4-phenylbutanoyl]amino]-3-phenylpropanoate
CID 10807081
3-methoxypropyl (2S)-2-amino-4-phenylbutanoate
CID 104983520
methyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 174427349
(2S)-2-amino-4-phenylbutanoic acid;bohrium
CID 59366799
2-amino-4-phenyl-N-propan-2-ylbutanamide
CID 114924577

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-4-phenylbutanoate?
The IUPAC name of methyl (2S)-2-amino-4-phenylbutanoate (CID 10867190) is methyl (2S)-2-amino-4-phenylbutanoate.
What is the SMILES notation for methyl (2S)-2-amino-4-phenylbutanoate?
The canonical SMILES for methyl (2S)-2-amino-4-phenylbutanoate is COC(=O)[C@@H](N)CCc1ccccc1.
What is the InChIKey of methyl (2S)-2-amino-4-phenylbutanoate?
The InChIKey is YEPNFOMBMXWUOG-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15NO2/c1-14-11(13)10(12)8-7-9-5-3-2-4-6-9/h2-6,10H,7-8,12H2,1H3/t10-/m0/s1.
What are the key properties of methyl (2S)-2-amino-4-phenylbutanoate?
methyl (2S)-2-amino-4-phenylbutanoate has a molecular weight of 193.25 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-4-phenylbutanoate is sourced from PubChem (CID 10867190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).