methyl 3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-3-pyridin-3-ylpropanoate

C18H22N2O3 — CID 15544536

IUPACmethyl 3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-3-pyridin-3-ylpropanoate
SMILESCOC(=O)CC(N[C@@H](C)c1ccc(OC)cc1)c1cccnc1
InChIInChI=1S/C18H22N2O3/c1-13(14-6-8-16(22-2)9-7-14)20-17(11-18(21)23-3)15-5-4-10-19-12-15/h4-10,12-13,17,20H,11H2,1-3H3/t13-,17?/m0/s1
InChIKeyNBSAJZZTYKLZNU-CWQZNGJJSA-N
MW314.39 g/mol
LogP3.05
Rot. Bonds7

About methyl 3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-3-pyridin-3-ylpropanoate

methyl 3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-3-pyridin-3-ylpropanoate (PubChem CID 15544536) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is methyl 3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-3-pyridin-3-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-3-pyridin-3-ylpropanoate
PubChem CID15544536
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Namemethyl 3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-3-pyridin-3-ylpropanoate
SMILESCOC(=O)CC(N[C@@H](C)c1ccc(OC)cc1)c1cccnc1
InChIInChI=1S/C18H22N2O3/c1-13(14-6-8-16(22-2)9-7-14)20-17(11-18(21)23-3)15-5-4-10-19-12-15/h4-10,12-13,17,20H,11H2,1-3H3/t13-,17?/m0/s1
InChIKeyNBSAJZZTYKLZNU-CWQZNGJJSA-N
XLogP3.05
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(propan-2-ylamino)-3-pyridin-3-ylpropanoate
CID 140629631
1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 81407071
1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propan-1-amine
CID 81407563
methyl 3-(1-pyridin-3-ylethylamino)butanoate
CID 43537085
methyl 3-(propylamino)-3-pyridin-3-ylpropanoate
CID 65235647
N'-[1-(4-methoxyphenyl)ethyl]-N-(pyridin-3-ylmethyl)oxamide
CID 3136550
1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;oxalic acid
CID 17382607
methyl (3S)-3-(4-methoxyphenyl)-3-phenylpropanoate
CID 134965407
ethyl (3S)-3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-3-pyridin-2-ylpropanoate
CID 101157279
N-[(4-methoxyphenyl)methyl]-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide
CID 97347952
methyl 4-amino-3-pyridin-3-ylhexanoate
CID 66097725
methyl (3S)-3-(4-methoxyanilino)-3-(4-methoxyphenyl)propanoate
CID 102577757

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-3-pyridin-3-ylpropanoate?
The IUPAC name of methyl 3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-3-pyridin-3-ylpropanoate (CID 15544536) is methyl 3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-3-pyridin-3-ylpropanoate.
What is the SMILES notation for methyl 3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-3-pyridin-3-ylpropanoate?
The canonical SMILES for methyl 3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-3-pyridin-3-ylpropanoate is COC(=O)CC(N[C@@H](C)c1ccc(OC)cc1)c1cccnc1.
What is the InChIKey of methyl 3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-3-pyridin-3-ylpropanoate?
The InChIKey is NBSAJZZTYKLZNU-CWQZNGJJSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-13(14-6-8-16(22-2)9-7-14)20-17(11-18(21)23-3)15-5-4-10-19-12-15/h4-10,12-13,17,20H,11H2,1-3H3/t13-,17?/m0/s1.
What are the key properties of methyl 3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-3-pyridin-3-ylpropanoate?
methyl 3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-3-pyridin-3-ylpropanoate has a molecular weight of 314.39 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-3-pyridin-3-ylpropanoate is sourced from PubChem (CID 15544536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).