methyl 4-[methyl-(2-pyridin-2-ylacetyl)amino]butanoate

C13H18N2O3 — CID 55005922

IUPACmethyl 4-[methyl-(2-pyridin-2-ylacetyl)amino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)Cc1ccccn1
InChIInChI=1S/C13H18N2O3/c1-15(9-5-7-13(17)18-2)12(16)10-11-6-3-4-8-14-11/h3-4,6,8H,5,7,9-10H2,1-2H3
InChIKeyZAVMJQTZPSSXDB-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.04
Rot. Bonds6

About methyl 4-[methyl-(2-pyridin-2-ylacetyl)amino]butanoate

methyl 4-[methyl-(2-pyridin-2-ylacetyl)amino]butanoate (PubChem CID 55005922) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is methyl 4-[methyl-(2-pyridin-2-ylacetyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl-(2-pyridin-2-ylacetyl)amino]butanoate
PubChem CID55005922
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Namemethyl 4-[methyl-(2-pyridin-2-ylacetyl)amino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)Cc1ccccn1
InChIInChI=1S/C13H18N2O3/c1-15(9-5-7-13(17)18-2)12(16)10-11-6-3-4-8-14-11/h3-4,6,8H,5,7,9-10H2,1-2H3
InChIKeyZAVMJQTZPSSXDB-UHFFFAOYSA-N
XLogP1.04
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-N-methyl-2-pyridin-2-ylacetamide
CID 62681126
methyl 4-[methyl-[2-(2-methylphenyl)acetyl]amino]butanoate
CID 54943470
methyl 6-[bis(pyridin-2-ylmethyl)amino]hexanoate
CID 138976785
methyl 4-[methyl-[2-(1H-pyrazol-5-yl)acetyl]amino]butanoate
CID 79003930
methyl 4-[methyl-[2-(2-nitrophenyl)acetyl]amino]butanoate
CID 60714518
ethyl 2-[methyl-(2-pyridin-2-ylacetyl)amino]acetate
CID 55003377
methyl 4-[methyl(pyrimidin-2-yl)amino]butanoate
CID 62006126
methyl 4-[3-(2-methoxyphenyl)propanoyl-methylamino]butanoate
CID 60714452
methyl 3-[ethyl(3-pyridin-2-ylpropanoyl)amino]propanoate
CID 78981122
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-pyridin-2-ylacetamide
CID 77085816
methyl 4-[[2-(4-acetamidophenyl)acetyl]-methylamino]butanoate
CID 39491135
N,N-dipropyl-2-pyridin-2-ylacetamide
CID 110696960

Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl-(2-pyridin-2-ylacetyl)amino]butanoate?
The IUPAC name of methyl 4-[methyl-(2-pyridin-2-ylacetyl)amino]butanoate (CID 55005922) is methyl 4-[methyl-(2-pyridin-2-ylacetyl)amino]butanoate.
What is the SMILES notation for methyl 4-[methyl-(2-pyridin-2-ylacetyl)amino]butanoate?
The canonical SMILES for methyl 4-[methyl-(2-pyridin-2-ylacetyl)amino]butanoate is COC(=O)CCCN(C)C(=O)Cc1ccccn1.
What is the InChIKey of methyl 4-[methyl-(2-pyridin-2-ylacetyl)amino]butanoate?
The InChIKey is ZAVMJQTZPSSXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-15(9-5-7-13(17)18-2)12(16)10-11-6-3-4-8-14-11/h3-4,6,8H,5,7,9-10H2,1-2H3.
What are the key properties of methyl 4-[methyl-(2-pyridin-2-ylacetyl)amino]butanoate?
methyl 4-[methyl-(2-pyridin-2-ylacetyl)amino]butanoate has a molecular weight of 250.30 g/mol, XLogP of 1.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl-(2-pyridin-2-ylacetyl)amino]butanoate is sourced from PubChem (CID 55005922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).