methyl 2-[[methyl(pyridin-2-yl)amino]methyl]butanoate

C12H18N2O2 — CID 115253091

IUPACmethyl 2-[[methyl(pyridin-2-yl)amino]methyl]butanoate
SMILESCCC(CN(C)c1ccccn1)C(=O)OC
InChIInChI=1S/C12H18N2O2/c1-4-10(12(15)16-3)9-14(2)11-7-5-6-8-13-11/h5-8,10H,4,9H2,1-3H3
InChIKeyFQGBDKDITOKUIO-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.72
Rot. Bonds5

About methyl 2-[[methyl(pyridin-2-yl)amino]methyl]butanoate

methyl 2-[[methyl(pyridin-2-yl)amino]methyl]butanoate (PubChem CID 115253091) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is methyl 2-[[methyl(pyridin-2-yl)amino]methyl]butanoate.

Molecular Properties

Compound Namemethyl 2-[[methyl(pyridin-2-yl)amino]methyl]butanoate
PubChem CID115253091
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Namemethyl 2-[[methyl(pyridin-2-yl)amino]methyl]butanoate
SMILESCCC(CN(C)c1ccccn1)C(=O)OC
InChIInChI=1S/C12H18N2O2/c1-4-10(12(15)16-3)9-14(2)11-7-5-6-8-13-11/h5-8,10H,4,9H2,1-3H3
InChIKeyFQGBDKDITOKUIO-UHFFFAOYSA-N
XLogP1.72
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[methyl(pyridin-2-yl)amino]methyl]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-(pyridin-2-yl)acetamide
CID 3786664
Methyl 3-[(pyridin-2-yl)amino]propanoate
CID 818199
3,4-Dimethyl-1-pyridin-2-yl-pyrrole-2,5-dione
CID 652349
2-Methyl-1-(4-(pyridin-2-yl)piperazin-1-yl)propan-1-one
CID 18340861
1-Piperazinepropionic acid, 4-(2-pyridinyl)-
CID 6485183
1-(Pyridin-2-yl)piperidin-4-one
CID 18348391
1-[5-(Trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylic acid
CID 2777788
4-isopropyl-N,3-dimethyl-5-oxo-N-(pyridin-2-yl)isoxazole-2(5H)-carboxamide
CID 44337214
1-Piperazinepropionic acid, 4-(2-pyridinyl)-, allyl ester, dihydrochloride
CID 13723653
1-Piperazinepropionic acid, beta-methyl-4-(2-pyridinyl)-, ethyl ester, dihydrochloride
CID 13723656
1-Piperazinepropanoic acid, 4-(2-pyridinyl)-, methyl ester, hydrochloride (1:1)
CID 20833838
1-(5-(Trifluoromethyl)pyridin-2-yl)piperidine-3-carboxylic acid
CID 5154402

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[methyl(pyridin-2-yl)amino]methyl]butanoate?
The IUPAC name of methyl 2-[[methyl(pyridin-2-yl)amino]methyl]butanoate (CID 115253091) is methyl 2-[[methyl(pyridin-2-yl)amino]methyl]butanoate.
What is the SMILES notation for methyl 2-[[methyl(pyridin-2-yl)amino]methyl]butanoate?
The canonical SMILES for methyl 2-[[methyl(pyridin-2-yl)amino]methyl]butanoate is CCC(CN(C)c1ccccn1)C(=O)OC.
What is the InChIKey of methyl 2-[[methyl(pyridin-2-yl)amino]methyl]butanoate?
The InChIKey is FQGBDKDITOKUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-10(12(15)16-3)9-14(2)11-7-5-6-8-13-11/h5-8,10H,4,9H2,1-3H3.
What are the key properties of methyl 2-[[methyl(pyridin-2-yl)amino]methyl]butanoate?
methyl 2-[[methyl(pyridin-2-yl)amino]methyl]butanoate has a molecular weight of 222.29 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[methyl(pyridin-2-yl)amino]methyl]butanoate is sourced from PubChem (CID 115253091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).