[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(3,4,5-trimethoxyphenyl)propanoate

C20H29NO6 — CID 8019249

IUPAC[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(3,4,5-trimethoxyphenyl)propanoate
SMILESCOc1cc(CCC(=O)O[C@@H](C)C(=O)NC2CCCC2)cc(OC)c1OC
InChIInChI=1S/C20H29NO6/c1-13(20(23)21-15-7-5-6-8-15)27-18(22)10-9-14-11-16(24-2)19(26-4)17(12-14)25-3/h11-13,15H,5-10H2,1-4H3,(H,21,23)/t13-/m0/s1
InChIKeyHMHOOBRIQVLESL-ZDUSSCGKSA-N
MW379.45 g/mol
LogP2.64
Rot. Bonds9

About [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(3,4,5-trimethoxyphenyl)propanoate

[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(3,4,5-trimethoxyphenyl)propanoate (PubChem CID 8019249) has the molecular formula C20H29NO6 and a molecular weight of 379.45 g/mol. Its IUPAC name is [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(3,4,5-trimethoxyphenyl)propanoate.

Molecular Properties

Compound Name[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(3,4,5-trimethoxyphenyl)propanoate
PubChem CID8019249
Molecular FormulaC20H29NO6
Molecular Weight379.45 g/mol
Exact Mass379.20
IUPAC Name[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(3,4,5-trimethoxyphenyl)propanoate
SMILESCOc1cc(CCC(=O)O[C@@H](C)C(=O)NC2CCCC2)cc(OC)c1OC
InChIInChI=1S/C20H29NO6/c1-13(20(23)21-15-7-5-6-8-15)27-18(22)10-9-14-11-16(24-2)19(26-4)17(12-14)25-3/h11-13,15H,5-10H2,1-4H3,(H,21,23)/t13-/m0/s1
InChIKeyHMHOOBRIQVLESL-ZDUSSCGKSA-N
XLogP2.64
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 7706439
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 8013712
[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 8013759
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 7776245
[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
CID 8731275
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate
CID 43032148
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667346
[1-(cyclohexylamino)-1-oxopropan-2-yl] 3-[4-(diethylsulfamoyl)phenyl]propanoate
CID 46609591
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate
CID 40692975
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667306
[1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 42975575
[1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(4-aminophenyl)propanoate
CID 61315262

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(3,4,5-trimethoxyphenyl)propanoate?
The IUPAC name of [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(3,4,5-trimethoxyphenyl)propanoate (CID 8019249) is [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(3,4,5-trimethoxyphenyl)propanoate.
What is the SMILES notation for [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(3,4,5-trimethoxyphenyl)propanoate?
The canonical SMILES for [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(3,4,5-trimethoxyphenyl)propanoate is COc1cc(CCC(=O)O[C@@H](C)C(=O)NC2CCCC2)cc(OC)c1OC.
What is the InChIKey of [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(3,4,5-trimethoxyphenyl)propanoate?
The InChIKey is HMHOOBRIQVLESL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H29NO6/c1-13(20(23)21-15-7-5-6-8-15)27-18(22)10-9-14-11-16(24-2)19(26-4)17(12-14)25-3/h11-13,15H,5-10H2,1-4H3,(H,21,23)/t13-/m0/s1.
What are the key properties of [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(3,4,5-trimethoxyphenyl)propanoate?
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(3,4,5-trimethoxyphenyl)propanoate has a molecular weight of 379.45 g/mol, XLogP of 2.64, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(3,4,5-trimethoxyphenyl)propanoate is sourced from PubChem (CID 8019249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).