methyl 3-[(3-cyclopropylimidazol-4-yl)methyl-methylamino]-2-methylpropanoate

C13H21N3O2 — CID 66153110

IUPACmethyl 3-[(3-cyclopropylimidazol-4-yl)methyl-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)Cc1cncn1C1CC1
InChIInChI=1S/C13H21N3O2/c1-10(13(17)18-3)7-15(2)8-12-6-14-9-16(12)11-4-5-11/h6,9-11H,4-5,7-8H2,1-3H3
InChIKeyIEUYLQHLLPDIFT-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.46
Rot. Bonds6

About methyl 3-[(3-cyclopropylimidazol-4-yl)methyl-methylamino]-2-methylpropanoate

methyl 3-[(3-cyclopropylimidazol-4-yl)methyl-methylamino]-2-methylpropanoate (PubChem CID 66153110) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 3-[(3-cyclopropylimidazol-4-yl)methyl-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(3-cyclopropylimidazol-4-yl)methyl-methylamino]-2-methylpropanoate
PubChem CID66153110
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Namemethyl 3-[(3-cyclopropylimidazol-4-yl)methyl-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)Cc1cncn1C1CC1
InChIInChI=1S/C13H21N3O2/c1-10(13(17)18-3)7-15(2)8-12-6-14-9-16(12)11-4-5-11/h6,9-11H,4-5,7-8H2,1-3H3
InChIKeyIEUYLQHLLPDIFT-UHFFFAOYSA-N
XLogP1.46
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(3-ethylimidazol-4-yl)methyl-methylamino]-2-methylpropanoate
CID 66153384
methyl 2-[(3-cyclopropylimidazol-4-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 66153111
2-[(3-cyclopropylimidazol-4-yl)methylamino]-N,N-dimethylpropanamide
CID 66163296
ethyl 3-(3-cyclopropylimidazol-4-yl)-3-(dimethylamino)propanoate
CID 66139484
(2S)-2-[(3-cyclopropylimidazol-4-yl)methylamino]propanoic acid
CID 83194284
methyl (2S)-2-methyl-3-[methyl(pyridin-3-ylmethyl)amino]propanoate
CID 93035101
methyl 2-methyl-3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]propanoate
CID 82853966
methyl 2-(3-cyclopropylimidazol-4-yl)-2-(propan-2-ylamino)acetate
CID 66140237
N-[2-[(3-cyclopropylimidazol-4-yl)methylamino]ethyl]-2-methylpropanamide
CID 66162278
2-[1-[(3-cyclopropylimidazol-4-yl)methyl-methylamino]cyclohexyl]acetic acid
CID 66141475
methyl 2-methyl-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoate
CID 60965753
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 66141611

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-cyclopropylimidazol-4-yl)methyl-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[(3-cyclopropylimidazol-4-yl)methyl-methylamino]-2-methylpropanoate (CID 66153110) is methyl 3-[(3-cyclopropylimidazol-4-yl)methyl-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[(3-cyclopropylimidazol-4-yl)methyl-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[(3-cyclopropylimidazol-4-yl)methyl-methylamino]-2-methylpropanoate is COC(=O)C(C)CN(C)Cc1cncn1C1CC1.
What is the InChIKey of methyl 3-[(3-cyclopropylimidazol-4-yl)methyl-methylamino]-2-methylpropanoate?
The InChIKey is IEUYLQHLLPDIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10(13(17)18-3)7-15(2)8-12-6-14-9-16(12)11-4-5-11/h6,9-11H,4-5,7-8H2,1-3H3.
What are the key properties of methyl 3-[(3-cyclopropylimidazol-4-yl)methyl-methylamino]-2-methylpropanoate?
methyl 3-[(3-cyclopropylimidazol-4-yl)methyl-methylamino]-2-methylpropanoate has a molecular weight of 251.33 g/mol, XLogP of 1.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-cyclopropylimidazol-4-yl)methyl-methylamino]-2-methylpropanoate is sourced from PubChem (CID 66153110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).