methyl 2-methyl-3-[(1-methylimidazol-2-yl)methylamino]propanoate

C10H17N3O2 — CID 63295782

IUPACmethyl 2-methyl-3-[(1-methylimidazol-2-yl)methylamino]propanoate
SMILESCOC(=O)C(C)CNCc1nccn1C
InChIInChI=1S/C10H17N3O2/c1-8(10(14)15-3)6-11-7-9-12-4-5-13(9)2/h4-5,8,11H,6-7H2,1-3H3
InChIKeyVICOCYUEAADLFV-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.32
Rot. Bonds5

About methyl 2-methyl-3-[(1-methylimidazol-2-yl)methylamino]propanoate

methyl 2-methyl-3-[(1-methylimidazol-2-yl)methylamino]propanoate (PubChem CID 63295782) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is methyl 2-methyl-3-[(1-methylimidazol-2-yl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[(1-methylimidazol-2-yl)methylamino]propanoate
PubChem CID63295782
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Namemethyl 2-methyl-3-[(1-methylimidazol-2-yl)methylamino]propanoate
SMILESCOC(=O)C(C)CNCc1nccn1C
InChIInChI=1S/C10H17N3O2/c1-8(10(14)15-3)6-11-7-9-12-4-5-13(9)2/h4-5,8,11H,6-7H2,1-3H3
InChIKeyVICOCYUEAADLFV-UHFFFAOYSA-N
XLogP0.32
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-methyl-3-[(1-methylimidazol-2-yl)methylamino]propanoate 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

2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butan-1-amine
CID 64570643
2-methoxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 115610745
3-amino-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 63293672
4-methyl-5-[(1-methylimidazol-2-yl)methylamino]pentan-2-ol
CID 115644645
2,2-difluoro-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 63296087
1,1-difluoro-3-[(1-methylimidazol-2-yl)methylamino]propan-2-ol
CID 103731677
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
(2R)-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 130637454
(2R)-2-amino-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 79013544
N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 63295550
2-methoxycarbonyl-4-(1-methylimidazol-2-yl)butanoic acid
CID 114533149
methyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate
CID 43398410

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[(1-methylimidazol-2-yl)methylamino]propanoate?
The IUPAC name of methyl 2-methyl-3-[(1-methylimidazol-2-yl)methylamino]propanoate (CID 63295782) is methyl 2-methyl-3-[(1-methylimidazol-2-yl)methylamino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[(1-methylimidazol-2-yl)methylamino]propanoate?
The canonical SMILES for methyl 2-methyl-3-[(1-methylimidazol-2-yl)methylamino]propanoate is COC(=O)C(C)CNCc1nccn1C.
What is the InChIKey of methyl 2-methyl-3-[(1-methylimidazol-2-yl)methylamino]propanoate?
The InChIKey is VICOCYUEAADLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-8(10(14)15-3)6-11-7-9-12-4-5-13(9)2/h4-5,8,11H,6-7H2,1-3H3.
What are the key properties of methyl 2-methyl-3-[(1-methylimidazol-2-yl)methylamino]propanoate?
methyl 2-methyl-3-[(1-methylimidazol-2-yl)methylamino]propanoate has a molecular weight of 211.26 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[(1-methylimidazol-2-yl)methylamino]propanoate is sourced from PubChem (CID 63295782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).