[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-quinolin-2-ylpropanoate

C23H22N2O3 — CID 27765908

IUPAC[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-quinolin-2-ylpropanoate
SMILESO=C(CCc1ccc2ccccc2n1)O[C@H](C(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C23H22N2O3/c26-21(15-14-18-11-10-16-6-4-5-9-20(16)24-18)28-22(17-7-2-1-3-8-17)23(27)25-19-12-13-19/h1-11,19,22H,12-15H2,(H,25,27)/t22-/m0/s1
InChIKeyTYOAVIIOVZFLMQ-QFIPXVFZSA-N
MW374.44 g/mol
LogP3.73
Rot. Bonds7

About [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-quinolin-2-ylpropanoate

[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-quinolin-2-ylpropanoate (PubChem CID 27765908) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-quinolin-2-ylpropanoate.

Molecular Properties

Compound Name[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-quinolin-2-ylpropanoate
PubChem CID27765908
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-quinolin-2-ylpropanoate
SMILESO=C(CCc1ccc2ccccc2n1)O[C@H](C(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C23H22N2O3/c26-21(15-14-18-11-10-16-6-4-5-9-20(16)24-18)28-22(17-7-2-1-3-8-17)23(27)25-19-12-13-19/h1-11,19,22H,12-15H2,(H,25,27)/t22-/m0/s1
InChIKeyTYOAVIIOVZFLMQ-QFIPXVFZSA-N
XLogP3.73
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(cyclopentylamino)-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate
CID 46811541
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(2-fluorophenyl)propanoate
CID 8514509
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-quinoxalin-2-ylsulfanylacetate
CID 46825293
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 45354130
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 3-quinolin-2-ylpropanoate
CID 29486495
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-hydroxy-2-phenylacetate
CID 9414934
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 55390691
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 46687967
(2R)-N-cyclopropyl-2-hydroxy-2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]acetamide
CID 129489272
[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 16589178
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 8602963
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(adamantane-1-carbonylamino)propanoate
CID 8601927

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-quinolin-2-ylpropanoate?
The IUPAC name of [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-quinolin-2-ylpropanoate (CID 27765908) is [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-quinolin-2-ylpropanoate.
What is the SMILES notation for [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-quinolin-2-ylpropanoate?
The canonical SMILES for [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-quinolin-2-ylpropanoate is O=C(CCc1ccc2ccccc2n1)O[C@H](C(=O)NC1CC1)c1ccccc1.
What is the InChIKey of [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-quinolin-2-ylpropanoate?
The InChIKey is TYOAVIIOVZFLMQ-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H22N2O3/c26-21(15-14-18-11-10-16-6-4-5-9-20(16)24-18)28-22(17-7-2-1-3-8-17)23(27)25-19-12-13-19/h1-11,19,22H,12-15H2,(H,25,27)/t22-/m0/s1.
What are the key properties of [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-quinolin-2-ylpropanoate?
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-quinolin-2-ylpropanoate has a molecular weight of 374.44 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-quinolin-2-ylpropanoate is sourced from PubChem (CID 27765908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).