methyl 2-(propylamino)-2-pyridin-4-ylpropanoate

C12H18N2O2 — CID 60795990

IUPACmethyl 2-(propylamino)-2-pyridin-4-ylpropanoate
SMILESCCCNC(C)(C(=O)OC)c1ccncc1
InChIInChI=1S/C12H18N2O2/c1-4-7-14-12(2,11(15)16-3)10-5-8-13-9-6-10/h5-6,8-9,14H,4,7H2,1-3H3
InChIKeySCPUSAYXXSLJDT-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.47
Rot. Bonds5

About methyl 2-(propylamino)-2-pyridin-4-ylpropanoate

methyl 2-(propylamino)-2-pyridin-4-ylpropanoate (PubChem CID 60795990) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is methyl 2-(propylamino)-2-pyridin-4-ylpropanoate.

Molecular Properties

Compound Namemethyl 2-(propylamino)-2-pyridin-4-ylpropanoate
PubChem CID60795990
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Namemethyl 2-(propylamino)-2-pyridin-4-ylpropanoate
SMILESCCCNC(C)(C(=O)OC)c1ccncc1
InChIInChI=1S/C12H18N2O2/c1-4-7-14-12(2,11(15)16-3)10-5-8-13-9-6-10/h5-6,8-9,14H,4,7H2,1-3H3
InChIKeySCPUSAYXXSLJDT-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-(diethylamino)ethylamino]-2-pyridin-4-ylpropanoate
CID 60993800
methyl 2-[4-(difluoromethoxy)phenyl]-2-(propylamino)propanoate
CID 60795366
2-(butylamino)-2-pyridin-4-ylpropanoic acid
CID 114988882
ethyl 2-(propylamino)-2-[4-(trifluoromethyl)phenyl]propanoate
CID 60796515
methyl 2-(3-fluoro-4-methoxyphenyl)-2-(propylamino)propanoate
CID 60796252
methyl 2-methyl-2-pyridin-4-ylpropanoate
CID 57421204
ethyl 2-(4-methoxyphenyl)-2-(propylamino)propanoate
CID 60797164
ethyl 3-(propylamino)-3-pyridin-4-ylbutanoate
CID 65236089
methyl 2-(3-methylanilino)-2-pyridin-4-ylpropanoate
CID 60994077
methyl 2-(2-methoxyethylamino)-2-phenylpropanoate
CID 62541706
methyl 2-(2-fluorophenyl)-2-(propylamino)propanoate
CID 60796122
2-(4-methoxyphenyl)-2-(propylamino)propanoic acid
CID 43754043

Frequently Asked Questions

What is the IUPAC name of methyl 2-(propylamino)-2-pyridin-4-ylpropanoate?
The IUPAC name of methyl 2-(propylamino)-2-pyridin-4-ylpropanoate (CID 60795990) is methyl 2-(propylamino)-2-pyridin-4-ylpropanoate.
What is the SMILES notation for methyl 2-(propylamino)-2-pyridin-4-ylpropanoate?
The canonical SMILES for methyl 2-(propylamino)-2-pyridin-4-ylpropanoate is CCCNC(C)(C(=O)OC)c1ccncc1.
What is the InChIKey of methyl 2-(propylamino)-2-pyridin-4-ylpropanoate?
The InChIKey is SCPUSAYXXSLJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-7-14-12(2,11(15)16-3)10-5-8-13-9-6-10/h5-6,8-9,14H,4,7H2,1-3H3.
What are the key properties of methyl 2-(propylamino)-2-pyridin-4-ylpropanoate?
methyl 2-(propylamino)-2-pyridin-4-ylpropanoate has a molecular weight of 222.29 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(propylamino)-2-pyridin-4-ylpropanoate is sourced from PubChem (CID 60795990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).