methyl (2S)-2-[1-(4-ethylphenyl)propylamino]propanoate

C15H23NO2 — CID 43723542

IUPACmethyl (2S)-2-[1-(4-ethylphenyl)propylamino]propanoate
SMILESCCc1ccc(C(CC)N[C@@H](C)C(=O)OC)cc1
InChIInChI=1S/C15H23NO2/c1-5-12-7-9-13(10-8-12)14(6-2)16-11(3)15(17)18-4/h7-11,14,16H,5-6H2,1-4H3/t11-,14?/m0/s1
InChIKeyVJRNNJLQDPYJTJ-ZSOXZCCMSA-N
MW249.35 g/mol
LogP2.85
Rot. Bonds6

About methyl (2S)-2-[1-(4-ethylphenyl)propylamino]propanoate

methyl (2S)-2-[1-(4-ethylphenyl)propylamino]propanoate (PubChem CID 43723542) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is methyl (2S)-2-[1-(4-ethylphenyl)propylamino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[1-(4-ethylphenyl)propylamino]propanoate
PubChem CID43723542
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Namemethyl (2S)-2-[1-(4-ethylphenyl)propylamino]propanoate
SMILESCCc1ccc(C(CC)N[C@@H](C)C(=O)OC)cc1
InChIInChI=1S/C15H23NO2/c1-5-12-7-9-13(10-8-12)14(6-2)16-11(3)15(17)18-4/h7-11,14,16H,5-6H2,1-4H3/t11-,14?/m0/s1
InChIKeyVJRNNJLQDPYJTJ-ZSOXZCCMSA-N
XLogP2.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[1-(4-methylphenyl)propylamino]propanoate
CID 54960073
N-[1-(4-ethylphenyl)propyl]butan-2-amine
CID 43309866
(2S)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanamide
CID 8643345
methyl 2-[amino-(4-ethylphenyl)methyl]butanoate
CID 116945955
methyl 2-[(4-ethylphenyl)-hydroxymethyl]-3-methylbutanoate
CID 62395969
2-(4-ethylphenyl)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 133184871
(2S)-2-[1-(4-ethylphenyl)propylamino]butan-1-ol
CID 104980386
methyl 2-[1-(2,4-dichlorophenyl)propylamino]propanoate
CID 60780834
methyl 2-[1-(4-methoxyphenyl)propylamino]-3-methylbutanoate
CID 60722003
2-[1-(4-hydroxyphenyl)propylamino]propanoic acid
CID 61499813
methyl 2-(4-propylphenyl)propanoate
CID 62801402
N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-ethylphenyl)acetamide
CID 133201762

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[1-(4-ethylphenyl)propylamino]propanoate?
The IUPAC name of methyl (2S)-2-[1-(4-ethylphenyl)propylamino]propanoate (CID 43723542) is methyl (2S)-2-[1-(4-ethylphenyl)propylamino]propanoate.
What is the SMILES notation for methyl (2S)-2-[1-(4-ethylphenyl)propylamino]propanoate?
The canonical SMILES for methyl (2S)-2-[1-(4-ethylphenyl)propylamino]propanoate is CCc1ccc(C(CC)N[C@@H](C)C(=O)OC)cc1.
What is the InChIKey of methyl (2S)-2-[1-(4-ethylphenyl)propylamino]propanoate?
The InChIKey is VJRNNJLQDPYJTJ-ZSOXZCCMSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-12-7-9-13(10-8-12)14(6-2)16-11(3)15(17)18-4/h7-11,14,16H,5-6H2,1-4H3/t11-,14?/m0/s1.
What are the key properties of methyl (2S)-2-[1-(4-ethylphenyl)propylamino]propanoate?
methyl (2S)-2-[1-(4-ethylphenyl)propylamino]propanoate has a molecular weight of 249.35 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[1-(4-ethylphenyl)propylamino]propanoate is sourced from PubChem (CID 43723542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).