methyl (2S)-2-(3,4-dihydro-2H-quinoline-1-carbonylamino)-3-phenylpropanoate

C20H22N2O3 — CID 41063334

IUPACmethyl (2S)-2-(3,4-dihydro-2H-quinoline-1-carbonylamino)-3-phenylpropanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCCc2ccccc21
InChIInChI=1S/C20H22N2O3/c1-25-19(23)17(14-15-8-3-2-4-9-15)21-20(24)22-13-7-11-16-10-5-6-12-18(16)22/h2-6,8-10,12,17H,7,11,13-14H2,1H3,(H,21,24)/t17-/m0/s1
InChIKeyFAKQHHOYZMOPLU-KRWDZBQOSA-N
MW338.41 g/mol
LogP2.93
Rot. Bonds4

About methyl (2S)-2-(3,4-dihydro-2H-quinoline-1-carbonylamino)-3-phenylpropanoate

methyl (2S)-2-(3,4-dihydro-2H-quinoline-1-carbonylamino)-3-phenylpropanoate (PubChem CID 41063334) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is methyl (2S)-2-(3,4-dihydro-2H-quinoline-1-carbonylamino)-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(3,4-dihydro-2H-quinoline-1-carbonylamino)-3-phenylpropanoate
PubChem CID41063334
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Namemethyl (2S)-2-(3,4-dihydro-2H-quinoline-1-carbonylamino)-3-phenylpropanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCCc2ccccc21
InChIInChI=1S/C20H22N2O3/c1-25-19(23)17(14-15-8-3-2-4-9-15)21-20(24)22-13-7-11-16-10-5-6-12-18(16)22/h2-6,8-10,12,17H,7,11,13-14H2,1H3,(H,21,24)/t17-/m0/s1
InChIKeyFAKQHHOYZMOPLU-KRWDZBQOSA-N
XLogP2.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(3,4-dihydro-2H-quinoline-1-carbonylamino)-3-phenylpropanoate?
The IUPAC name of methyl (2S)-2-(3,4-dihydro-2H-quinoline-1-carbonylamino)-3-phenylpropanoate (CID 41063334) is methyl (2S)-2-(3,4-dihydro-2H-quinoline-1-carbonylamino)-3-phenylpropanoate.
What is the SMILES notation for methyl (2S)-2-(3,4-dihydro-2H-quinoline-1-carbonylamino)-3-phenylpropanoate?
The canonical SMILES for methyl (2S)-2-(3,4-dihydro-2H-quinoline-1-carbonylamino)-3-phenylpropanoate is COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCCc2ccccc21.
What is the InChIKey of methyl (2S)-2-(3,4-dihydro-2H-quinoline-1-carbonylamino)-3-phenylpropanoate?
The InChIKey is FAKQHHOYZMOPLU-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-25-19(23)17(14-15-8-3-2-4-9-15)21-20(24)22-13-7-11-16-10-5-6-12-18(16)22/h2-6,8-10,12,17H,7,11,13-14H2,1H3,(H,21,24)/t17-/m0/s1.
What are the key properties of methyl (2S)-2-(3,4-dihydro-2H-quinoline-1-carbonylamino)-3-phenylpropanoate?
methyl (2S)-2-(3,4-dihydro-2H-quinoline-1-carbonylamino)-3-phenylpropanoate has a molecular weight of 338.41 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(3,4-dihydro-2H-quinoline-1-carbonylamino)-3-phenylpropanoate is sourced from PubChem (CID 41063334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).