methyl 2-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]-methylamino]acetate

C15H19NO4 — CID 110485567

IUPACmethyl 2-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)C1(c2ccccc2OC)CC1
InChIInChI=1S/C15H19NO4/c1-16(10-13(17)20-3)14(18)15(8-9-15)11-6-4-5-7-12(11)19-2/h4-7H,8-10H2,1-3H3
InChIKeyOWMQTYZGGQKBBG-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.36
Rot. Bonds5

About methyl 2-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]-methylamino]acetate

methyl 2-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]-methylamino]acetate (PubChem CID 110485567) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 2-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]-methylamino]acetate
PubChem CID110485567
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namemethyl 2-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)C1(c2ccccc2OC)CC1
InChIInChI=1S/C15H19NO4/c1-16(10-13(17)20-3)14(18)15(8-9-15)11-6-4-5-7-12(11)19-2/h4-7H,8-10H2,1-3H3
InChIKeyOWMQTYZGGQKBBG-UHFFFAOYSA-N
XLogP1.36
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-(2-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 110436719
1-(2-methoxyphenyl)-N,N-dimethylcyclobutane-1-carboxamide
CID 110436778
N-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 110437951
methyl 2-[(2-methoxybenzoyl)-methylamino]acetate
CID 584991
1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 23151680
N-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)cyclobutane-1-carboxamide
CID 110438073
1-(2-methoxyphenyl)cyclohexane-1-carbohydrazide
CID 116844537
2-[[1-(2-methoxyphenyl)cyclopentanecarbonyl]amino]acetic acid
CID 110466240
[1-(2-methoxyphenyl)cyclopropyl]-piperidin-1-ylmethanone
CID 30945052
N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 30945125
1-(2-methoxyphenyl)-N-prop-2-enylcyclobutane-1-carboxamide
CID 110486813
3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 119220664

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]-methylamino]acetate?
The IUPAC name of methyl 2-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]-methylamino]acetate (CID 110485567) is methyl 2-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]-methylamino]acetate.
What is the SMILES notation for methyl 2-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]-methylamino]acetate?
The canonical SMILES for methyl 2-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]-methylamino]acetate is COC(=O)CN(C)C(=O)C1(c2ccccc2OC)CC1.
What is the InChIKey of methyl 2-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]-methylamino]acetate?
The InChIKey is OWMQTYZGGQKBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-16(10-13(17)20-3)14(18)15(8-9-15)11-6-4-5-7-12(11)19-2/h4-7H,8-10H2,1-3H3.
What are the key properties of methyl 2-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]-methylamino]acetate?
methyl 2-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]-methylamino]acetate has a molecular weight of 277.32 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]-methylamino]acetate is sourced from PubChem (CID 110485567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).