methyl 3-[(4-methoxybenzoyl)-methylamino]propanoate

C13H17NO4 — CID 54980118

IUPACmethyl 3-[(4-methoxybenzoyl)-methylamino]propanoate
SMILESCOC(=O)CCN(C)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H17NO4/c1-14(9-8-12(15)18-3)13(16)10-4-6-11(17-2)7-5-10/h4-7H,8-9H2,1-3H3
InChIKeyQKJYEUCYYHQFMW-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.33
Rot. Bonds5

About methyl 3-[(4-methoxybenzoyl)-methylamino]propanoate

methyl 3-[(4-methoxybenzoyl)-methylamino]propanoate (PubChem CID 54980118) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is methyl 3-[(4-methoxybenzoyl)-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(4-methoxybenzoyl)-methylamino]propanoate
PubChem CID54980118
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Namemethyl 3-[(4-methoxybenzoyl)-methylamino]propanoate
SMILESCOC(=O)CCN(C)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H17NO4/c1-14(9-8-12(15)18-3)13(16)10-4-6-11(17-2)7-5-10/h4-7H,8-9H2,1-3H3
InChIKeyQKJYEUCYYHQFMW-UHFFFAOYSA-N
XLogP1.33
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[4-(difluoromethoxy)benzoyl]-methylamino]propanoate
CID 61032347
methyl 3-[methyl-(4-prop-2-enoxybenzoyl)amino]propanoate
CID 61031962
methyl 3-[methyl-(4-pyrrol-1-ylbenzoyl)amino]propanoate
CID 61031076
N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-4-methoxy-N-methylbenzamide
CID 71571384
methyl 3-[methyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoate
CID 54980402
methyl 3-[(3-chloro-4-methylbenzoyl)-methylamino]propanoate
CID 63195175
methyl 3-[(3-fluoro-4-methylbenzoyl)-methylamino]propanoate
CID 54979810
methyl 3-[(6-chloropyridine-3-carbonyl)-methylamino]propanoate
CID 55031186
methyl 3-[(4-chloro-3-methylbenzoyl)-methylamino]propanoate
CID 112699249
methyl 3-[2-(4-methoxyphenoxy)ethyl-methylamino]propanoate
CID 60654331
methyl 4-[[4-(hydroxymethyl)benzoyl]-methylamino]butanoate
CID 55006062
methyl 3-[1,3-benzodioxole-5-carbonyl(methyl)amino]propanoate
CID 54980166

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-methoxybenzoyl)-methylamino]propanoate?
The IUPAC name of methyl 3-[(4-methoxybenzoyl)-methylamino]propanoate (CID 54980118) is methyl 3-[(4-methoxybenzoyl)-methylamino]propanoate.
What is the SMILES notation for methyl 3-[(4-methoxybenzoyl)-methylamino]propanoate?
The canonical SMILES for methyl 3-[(4-methoxybenzoyl)-methylamino]propanoate is COC(=O)CCN(C)C(=O)c1ccc(OC)cc1.
What is the InChIKey of methyl 3-[(4-methoxybenzoyl)-methylamino]propanoate?
The InChIKey is QKJYEUCYYHQFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-14(9-8-12(15)18-3)13(16)10-4-6-11(17-2)7-5-10/h4-7H,8-9H2,1-3H3.
What are the key properties of methyl 3-[(4-methoxybenzoyl)-methylamino]propanoate?
methyl 3-[(4-methoxybenzoyl)-methylamino]propanoate has a molecular weight of 251.28 g/mol, XLogP of 1.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-methoxybenzoyl)-methylamino]propanoate is sourced from PubChem (CID 54980118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).