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

C10H17N3O2 — CID 62011854

IUPACmethyl 3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate
SMILESCOC(=O)CCN(C)Cc1nccn1C
InChIInChI=1S/C10H17N3O2/c1-12(6-4-10(14)15-3)8-9-11-5-7-13(9)2/h5,7H,4,6,8H2,1-3H3
InChIKeyIFENYVWPPFWJFV-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.41
Rot. Bonds5

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

methyl 3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate (PubChem CID 62011854) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is methyl 3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate
PubChem CID62011854
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Namemethyl 3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate
SMILESCOC(=O)CCN(C)Cc1nccn1C
InChIInChI=1S/C10H17N3O2/c1-12(6-4-10(14)15-3)8-9-11-5-7-13(9)2/h5,7H,4,6,8H2,1-3H3
InChIKeyIFENYVWPPFWJFV-UHFFFAOYSA-N
XLogP0.41
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-methyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]but-2-enoate
CID 77074027
ethyl 4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-3-oxobutanoate
CID 63896476
methyl 2-amino-2-methyl-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]hexanoate
CID 63026662
3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanimidamide
CID 63013799
3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-piperazin-1-ylpropan-1-one
CID 63013604
N,N'-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 63024435
methyl 2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazol-4-yl]acetate
CID 80576669
6-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]hexan-1-amine
CID 63026955
(2S)-4-methoxy-2-[[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]amino]-4-oxobutanoic acid
CID 63305347
2-amino-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]butan-1-ol
CID 64792480
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-pentan-3-ylethane-1,2-diamine
CID 63025196
methyl 2-(cyclopropylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate
CID 63025456

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate?
The IUPAC name of methyl 3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate (CID 62011854) is methyl 3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate.
What is the SMILES notation for methyl 3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate?
The canonical SMILES for methyl 3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate is COC(=O)CCN(C)Cc1nccn1C.
What is the InChIKey of methyl 3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate?
The InChIKey is IFENYVWPPFWJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-12(6-4-10(14)15-3)8-9-11-5-7-13(9)2/h5,7H,4,6,8H2,1-3H3.
What are the key properties of methyl 3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate?
methyl 3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate has a molecular weight of 211.26 g/mol, XLogP of 0.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate is sourced from PubChem (CID 62011854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).