methyl 3-(ethylamino)-3-(6-methyl-3-pyridinyl)propanoate

C12H18N2O2 — CID 104823947

IUPACmethyl 3-(ethylamino)-3-(6-methyl-3-pyridinyl)propanoate
SMILESCCNC(CC(=O)OC)c1ccc(C)nc1
InChIInChI=1S/C12H18N2O2/c1-4-13-11(7-12(15)16-3)10-6-5-9(2)14-8-10/h5-6,8,11,13H,4,7H2,1-3H3
InChIKeyWMVRTOUMIFNEKB-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.60
Rot. Bonds5

About methyl 3-(ethylamino)-3-(6-methyl-3-pyridinyl)propanoate

methyl 3-(ethylamino)-3-(6-methyl-3-pyridinyl)propanoate (PubChem CID 104823947) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is methyl 3-(ethylamino)-3-(6-methyl-3-pyridinyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(ethylamino)-3-(6-methyl-3-pyridinyl)propanoate
PubChem CID104823947
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Namemethyl 3-(ethylamino)-3-(6-methyl-3-pyridinyl)propanoate
SMILESCCNC(CC(=O)OC)c1ccc(C)nc1
InChIInChI=1S/C12H18N2O2/c1-4-13-11(7-12(15)16-3)10-6-5-9(2)14-8-10/h5-6,8,11,13H,4,7H2,1-3H3
InChIKeyWMVRTOUMIFNEKB-UHFFFAOYSA-N
XLogP1.60
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(ethylamino)-3-(6-methyl-3-pyridinyl)propanamide
CID 104823942
ethane;(1S)-N-ethyl-1-(6-methyl-3-pyridinyl)propan-1-amine
CID 143971638
methyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate
CID 65235012
methyl 4-amino-3-(6-methyl-3-pyridinyl)pentanoate
CID 104823955
N-ethyl-4-methyl-1-(6-methyl-3-pyridinyl)pentan-1-amine
CID 63156106
methyl 3-(ethylamino)-3-(4-phenylphenyl)propanoate
CID 65235244
N-ethyl-1-(6-methyl-3-pyridinyl)-2-propan-2-yloxyethanamine
CID 105146359
N-ethyl-1-(6-methyl-3-pyridinyl)-2-propoxyethanamine
CID 63155925
methyl (3S)-3-(4-methylphenyl)-3-[(6-methylpyridine-3-carbonyl)amino]propanoate
CID 31118479
methyl 3-[4-(difluoromethoxy)phenyl]-3-(ethylamino)propanoate
CID 65234653
N-ethyl-1-(6-methyl-3-pyridinyl)undecan-1-amine
CID 105138195
N-ethyl-1-(6-methyl-3-pyridinyl)octan-1-amine
CID 115855028

Frequently Asked Questions

What is the IUPAC name of methyl 3-(ethylamino)-3-(6-methyl-3-pyridinyl)propanoate?
The IUPAC name of methyl 3-(ethylamino)-3-(6-methyl-3-pyridinyl)propanoate (CID 104823947) is methyl 3-(ethylamino)-3-(6-methyl-3-pyridinyl)propanoate.
What is the SMILES notation for methyl 3-(ethylamino)-3-(6-methyl-3-pyridinyl)propanoate?
The canonical SMILES for methyl 3-(ethylamino)-3-(6-methyl-3-pyridinyl)propanoate is CCNC(CC(=O)OC)c1ccc(C)nc1.
What is the InChIKey of methyl 3-(ethylamino)-3-(6-methyl-3-pyridinyl)propanoate?
The InChIKey is WMVRTOUMIFNEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-13-11(7-12(15)16-3)10-6-5-9(2)14-8-10/h5-6,8,11,13H,4,7H2,1-3H3.
What are the key properties of methyl 3-(ethylamino)-3-(6-methyl-3-pyridinyl)propanoate?
methyl 3-(ethylamino)-3-(6-methyl-3-pyridinyl)propanoate has a molecular weight of 222.29 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(ethylamino)-3-(6-methyl-3-pyridinyl)propanoate is sourced from PubChem (CID 104823947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).