methyl (3R)-4-amino-3-phenylbutanoate

C11H15NO2 — CID 13314421

IUPACmethyl (3R)-4-amino-3-phenylbutanoate
SMILESCOC(=O)C[C@@H](CN)c1ccccc1
InChIInChI=1S/C11H15NO2/c1-14-11(13)7-10(8-12)9-5-3-2-4-6-9/h2-6,10H,7-8,12H2,1H3/t10-/m0/s1
InChIKeyQGMLRHACACRFNN-JTQLQIEISA-N
MW193.25 g/mol
LogP1.29
Rot. Bonds4

About methyl (3R)-4-amino-3-phenylbutanoate

methyl (3R)-4-amino-3-phenylbutanoate (PubChem CID 13314421) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is methyl (3R)-4-amino-3-phenylbutanoate.

Molecular Properties

Compound Namemethyl (3R)-4-amino-3-phenylbutanoate
PubChem CID13314421
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namemethyl (3R)-4-amino-3-phenylbutanoate
SMILESCOC(=O)C[C@@H](CN)c1ccccc1
InChIInChI=1S/C11H15NO2/c1-14-11(13)7-10(8-12)9-5-3-2-4-6-9/h2-6,10H,7-8,12H2,1H3/t10-/m0/s1
InChIKeyQGMLRHACACRFNN-JTQLQIEISA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-amino-3-phenylbutanoate;hydrochloride
CID 68748102
(3S)-5-methoxy-5-oxo-3-phenylpentanoic acid
CID 71352827
2-methylpropyl (3R)-4-amino-3-phenylbutanoate
CID 2057331
octyl 4-amino-3-phenylbutanoate
CID 69403918
methyl 8-amino-7-phenyloctanoate
CID 10060632
dimethyl (3R,4R)-3,4-diphenylhexanedioate
CID 10969442
methyl 4-amino-3-thiophen-3-ylbutanoate
CID 101126903
methyl 4-amino-3-(furan-3-yl)butanoate
CID 66096201
methyl 3-phenylundecanoate
CID 608715
ethane;methanamine;methyl 3-methoxy-3-phenylpropanoate
CID 143560170
(3-amino-2-phenylpropyl) 2-aminoacetate
CID 174564415
dimethyl 2-(1-phenylethyl)butanedioate
CID 53348868

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-4-amino-3-phenylbutanoate?
The IUPAC name of methyl (3R)-4-amino-3-phenylbutanoate (CID 13314421) is methyl (3R)-4-amino-3-phenylbutanoate.
What is the SMILES notation for methyl (3R)-4-amino-3-phenylbutanoate?
The canonical SMILES for methyl (3R)-4-amino-3-phenylbutanoate is COC(=O)C[C@@H](CN)c1ccccc1.
What is the InChIKey of methyl (3R)-4-amino-3-phenylbutanoate?
The InChIKey is QGMLRHACACRFNN-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15NO2/c1-14-11(13)7-10(8-12)9-5-3-2-4-6-9/h2-6,10H,7-8,12H2,1H3/t10-/m0/s1.
What are the key properties of methyl (3R)-4-amino-3-phenylbutanoate?
methyl (3R)-4-amino-3-phenylbutanoate has a molecular weight of 193.25 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-4-amino-3-phenylbutanoate is sourced from PubChem (CID 13314421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).