methyl 2-[(3-methoxybenzoyl)-propan-2-ylamino]acetate

C14H19NO4 — CID 54941995

IUPACmethyl 2-[(3-methoxybenzoyl)-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)c1cccc(OC)c1)C(C)C
InChIInChI=1S/C14H19NO4/c1-10(2)15(9-13(16)19-4)14(17)11-6-5-7-12(8-11)18-3/h5-8,10H,9H2,1-4H3
InChIKeyYFOGCKTWBOKYIK-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.72
Rot. Bonds5

About methyl 2-[(3-methoxybenzoyl)-propan-2-ylamino]acetate

methyl 2-[(3-methoxybenzoyl)-propan-2-ylamino]acetate (PubChem CID 54941995) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 2-[(3-methoxybenzoyl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-methoxybenzoyl)-propan-2-ylamino]acetate
PubChem CID54941995
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 2-[(3-methoxybenzoyl)-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)c1cccc(OC)c1)C(C)C
InChIInChI=1S/C14H19NO4/c1-10(2)15(9-13(16)19-4)14(17)11-6-5-7-12(8-11)18-3/h5-8,10H,9H2,1-4H3
InChIKeyYFOGCKTWBOKYIK-UHFFFAOYSA-N
XLogP1.72
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[3-(difluoromethoxy)benzoyl]-propan-2-ylamino]acetate
CID 60767021
N-(2-chloroethyl)-3-methoxy-N-propan-2-ylbenzamide
CID 63393651
methyl 2-[(3-cyanobenzoyl)-propan-2-ylamino]acetate
CID 54941803
methyl 2-[(3-methoxybenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952792
2-[butan-2-yl-(3-methoxybenzoyl)amino]acetic acid
CID 54925820
methyl 2-[(2-hydroxy-5-methoxybenzoyl)-propan-2-ylamino]acetate
CID 60779348
methyl 2-[cyclopentyl-(3-methoxybenzoyl)amino]acetate
CID 80717814
methyl 2-[(3-chloro-4-methylbenzoyl)-propan-2-ylamino]acetate
CID 63195216
methyl 2-[(3-fluoro-4-methylbenzoyl)-propan-2-ylamino]acetate
CID 54942287
methyl 2-[(2,6-dichlorobenzoyl)-propan-2-ylamino]acetate
CID 55005992
methyl 2-[(4-chlorobenzoyl)-propan-2-ylamino]acetate
CID 54941937
methyl 2-[(4-chloro-3-fluorobenzoyl)-propan-2-ylamino]acetate
CID 103876685

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-methoxybenzoyl)-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[(3-methoxybenzoyl)-propan-2-ylamino]acetate (CID 54941995) is methyl 2-[(3-methoxybenzoyl)-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[(3-methoxybenzoyl)-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[(3-methoxybenzoyl)-propan-2-ylamino]acetate is COC(=O)CN(C(=O)c1cccc(OC)c1)C(C)C.
What is the InChIKey of methyl 2-[(3-methoxybenzoyl)-propan-2-ylamino]acetate?
The InChIKey is YFOGCKTWBOKYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10(2)15(9-13(16)19-4)14(17)11-6-5-7-12(8-11)18-3/h5-8,10H,9H2,1-4H3.
What are the key properties of methyl 2-[(3-methoxybenzoyl)-propan-2-ylamino]acetate?
methyl 2-[(3-methoxybenzoyl)-propan-2-ylamino]acetate has a molecular weight of 265.31 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-methoxybenzoyl)-propan-2-ylamino]acetate is sourced from PubChem (CID 54941995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).