methyl 2-(aminomethyl)-2-cyclopropyl-3-(2-methoxy-5-methylphenyl)propanoate

C16H23NO3 — CID 106489483

IUPACmethyl 2-(aminomethyl)-2-cyclopropyl-3-(2-methoxy-5-methylphenyl)propanoate
SMILESCOC(=O)C(CN)(Cc1cc(C)ccc1OC)C1CC1
InChIInChI=1S/C16H23NO3/c1-11-4-7-14(19-2)12(8-11)9-16(10-17,13-5-6-13)15(18)20-3/h4,7-8,13H,5-6,9-10,17H2,1-3H3
InChIKeyFCYXYTFKESADPO-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.07
Rot. Bonds6

About methyl 2-(aminomethyl)-2-cyclopropyl-3-(2-methoxy-5-methylphenyl)propanoate

methyl 2-(aminomethyl)-2-cyclopropyl-3-(2-methoxy-5-methylphenyl)propanoate (PubChem CID 106489483) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is methyl 2-(aminomethyl)-2-cyclopropyl-3-(2-methoxy-5-methylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(aminomethyl)-2-cyclopropyl-3-(2-methoxy-5-methylphenyl)propanoate
PubChem CID106489483
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namemethyl 2-(aminomethyl)-2-cyclopropyl-3-(2-methoxy-5-methylphenyl)propanoate
SMILESCOC(=O)C(CN)(Cc1cc(C)ccc1OC)C1CC1
InChIInChI=1S/C16H23NO3/c1-11-4-7-14(19-2)12(8-11)9-16(10-17,13-5-6-13)15(18)20-3/h4,7-8,13H,5-6,9-10,17H2,1-3H3
InChIKeyFCYXYTFKESADPO-UHFFFAOYSA-N
XLogP2.07
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(aminomethyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropanoate
CID 106487848
2-(3-chloro-2-cyclopropyl-2-methylpropyl)-1-methoxy-4-methylbenzene
CID 83151729
N-(1-amino-2-methylpropan-2-yl)-2-(2-methoxy-5-methylphenyl)acetamide
CID 110832873
2-(aminomethyl)-2-cyclopropyl-3-(3,4-dimethoxyphenyl)propanoic acid
CID 106489749
methyl 3-amino-2-[(4-amino-3-fluorophenyl)methyl]-2-cyclopropylpropanoate
CID 106489495
3-(cyclopropylamino)-2-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-3-oxopropanoic acid
CID 114900504
1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanone
CID 80601651
methyl 2-amino-2-cyclopropyl-3-(2-methoxy-5-nitrophenyl)propanoate
CID 70239627
N-cyclohexyl-2-(2-methoxy-5-methylphenyl)acetamide
CID 18108630
1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 65391197
2-cyclopropyl-N-(2-methoxyethyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropan-1-amine
CID 83150816
3-amino-1-(2-methoxy-5-methylphenyl)-4,4-dimethylpentan-2-one
CID 116611554

Frequently Asked Questions

What is the IUPAC name of methyl 2-(aminomethyl)-2-cyclopropyl-3-(2-methoxy-5-methylphenyl)propanoate?
The IUPAC name of methyl 2-(aminomethyl)-2-cyclopropyl-3-(2-methoxy-5-methylphenyl)propanoate (CID 106489483) is methyl 2-(aminomethyl)-2-cyclopropyl-3-(2-methoxy-5-methylphenyl)propanoate.
What is the SMILES notation for methyl 2-(aminomethyl)-2-cyclopropyl-3-(2-methoxy-5-methylphenyl)propanoate?
The canonical SMILES for methyl 2-(aminomethyl)-2-cyclopropyl-3-(2-methoxy-5-methylphenyl)propanoate is COC(=O)C(CN)(Cc1cc(C)ccc1OC)C1CC1.
What is the InChIKey of methyl 2-(aminomethyl)-2-cyclopropyl-3-(2-methoxy-5-methylphenyl)propanoate?
The InChIKey is FCYXYTFKESADPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11-4-7-14(19-2)12(8-11)9-16(10-17,13-5-6-13)15(18)20-3/h4,7-8,13H,5-6,9-10,17H2,1-3H3.
What are the key properties of methyl 2-(aminomethyl)-2-cyclopropyl-3-(2-methoxy-5-methylphenyl)propanoate?
methyl 2-(aminomethyl)-2-cyclopropyl-3-(2-methoxy-5-methylphenyl)propanoate has a molecular weight of 277.36 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(aminomethyl)-2-cyclopropyl-3-(2-methoxy-5-methylphenyl)propanoate is sourced from PubChem (CID 106489483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).