methyl 3-[(3-methyl-4-pyridinyl)methylamino]butanoate

C12H18N2O2 — CID 114699901

IUPACmethyl 3-[(3-methyl-4-pyridinyl)methylamino]butanoate
SMILESCOC(=O)CC(C)NCc1ccncc1C
InChIInChI=1S/C12H18N2O2/c1-9-7-13-5-4-11(9)8-14-10(2)6-12(15)16-3/h4-5,7,10,14H,6,8H2,1-3H3
InChIKeyRYZONGPXZALVJM-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.43
Rot. Bonds5

About methyl 3-[(3-methyl-4-pyridinyl)methylamino]butanoate

methyl 3-[(3-methyl-4-pyridinyl)methylamino]butanoate (PubChem CID 114699901) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is methyl 3-[(3-methyl-4-pyridinyl)methylamino]butanoate.

Molecular Properties

Compound Namemethyl 3-[(3-methyl-4-pyridinyl)methylamino]butanoate
PubChem CID114699901
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Namemethyl 3-[(3-methyl-4-pyridinyl)methylamino]butanoate
SMILESCOC(=O)CC(C)NCc1ccncc1C
InChIInChI=1S/C12H18N2O2/c1-9-7-13-5-4-11(9)8-14-10(2)6-12(15)16-3/h4-5,7,10,14H,6,8H2,1-3H3
InChIKeyRYZONGPXZALVJM-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[(3-methyl-4-pyridinyl)methylamino]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

methyl (3R)-3-(pyridin-4-ylmethylamino)butanoate
CID 93105938
3-(ethylamino)-N-[(3-methyl-4-pyridinyl)methyl]butanamide
CID 114700230
1-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]propan-2-amine
CID 114698935
1-methoxy-3-methyl-N-[(3-methyl-4-pyridinyl)methyl]butan-2-amine
CID 114698943
methyl (3R)-3-amino-3-(3-methyl-4-pyridinyl)propanoate
CID 55278233
methyl (2R)-2-amino-3-(3-methyl-4-pyridinyl)propanoate
CID 55277902
methyl (3S)-3-(pyridin-2-ylmethylamino)butanoate
CID 93105864
2-methyl-3-[(3-methyl-4-pyridinyl)methylamino]propanoic acid
CID 114699734
N-(2-methylbutan-2-yl)-2-[(3-methyl-4-pyridinyl)methylamino]propanamide
CID 114699824
methyl 3-(benzylamino)butanoate
CID 13416927
2-methoxy-N-[(3-methyl-4-pyridinyl)methyl]propan-1-amine
CID 114699579
N-[(3-methyl-4-pyridinyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 114699302

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-methyl-4-pyridinyl)methylamino]butanoate?
The IUPAC name of methyl 3-[(3-methyl-4-pyridinyl)methylamino]butanoate (CID 114699901) is methyl 3-[(3-methyl-4-pyridinyl)methylamino]butanoate.
What is the SMILES notation for methyl 3-[(3-methyl-4-pyridinyl)methylamino]butanoate?
The canonical SMILES for methyl 3-[(3-methyl-4-pyridinyl)methylamino]butanoate is COC(=O)CC(C)NCc1ccncc1C.
What is the InChIKey of methyl 3-[(3-methyl-4-pyridinyl)methylamino]butanoate?
The InChIKey is RYZONGPXZALVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-7-13-5-4-11(9)8-14-10(2)6-12(15)16-3/h4-5,7,10,14H,6,8H2,1-3H3.
What are the key properties of methyl 3-[(3-methyl-4-pyridinyl)methylamino]butanoate?
methyl 3-[(3-methyl-4-pyridinyl)methylamino]butanoate has a molecular weight of 222.29 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-methyl-4-pyridinyl)methylamino]butanoate is sourced from PubChem (CID 114699901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).