methyl 2-[(2-hydroxy-5-methoxybenzoyl)-propan-2-ylamino]acetate

C14H19NO5 — CID 60779348

IUPACmethyl 2-[(2-hydroxy-5-methoxybenzoyl)-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)c1cc(OC)ccc1O)C(C)C
InChIInChI=1S/C14H19NO5/c1-9(2)15(8-13(17)20-4)14(18)11-7-10(19-3)5-6-12(11)16/h5-7,9,16H,8H2,1-4H3
InChIKeyAYTNCKQRXIQRII-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.42
Rot. Bonds5

About methyl 2-[(2-hydroxy-5-methoxybenzoyl)-propan-2-ylamino]acetate

methyl 2-[(2-hydroxy-5-methoxybenzoyl)-propan-2-ylamino]acetate (PubChem CID 60779348) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 2-[(2-hydroxy-5-methoxybenzoyl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-hydroxy-5-methoxybenzoyl)-propan-2-ylamino]acetate
PubChem CID60779348
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Namemethyl 2-[(2-hydroxy-5-methoxybenzoyl)-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)c1cc(OC)ccc1O)C(C)C
InChIInChI=1S/C14H19NO5/c1-9(2)15(8-13(17)20-4)14(18)11-7-10(19-3)5-6-12(11)16/h5-7,9,16H,8H2,1-4H3
InChIKeyAYTNCKQRXIQRII-UHFFFAOYSA-N
XLogP1.42
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-2-hydroxy-5-methoxy-N-propan-2-ylbenzamide
CID 54945861
methyl 2-[(3-methoxybenzoyl)-propan-2-ylamino]acetate
CID 54941995
2-hydroxy-5-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62641545
methyl 2-[(2,5-dimethylfuran-3-carbonyl)-propan-2-ylamino]acetate
CID 54942114
2-hydroxy-5-methoxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 60792619
N-benzyl-N-butan-2-yl-2-hydroxy-5-methoxybenzamide
CID 112810487
N-(2-aminopropyl)-2-hydroxy-5-methoxy-N-methylbenzamide
CID 63753944
N-ethyl-2-hydroxy-5-methoxy-N-(2-methylbutyl)benzamide
CID 79470067
methyl 2-[(5-fluoro-2-methylbenzoyl)-propan-2-ylamino]acetate
CID 60779527
2-bromo-N-(2-bromoethyl)-5-methoxy-N-propan-2-ylbenzamide
CID 80666522
1-(2-hydroxy-5-methoxyphenyl)-2-methylpropan-1-one
CID 15267102
methyl 2-[(2-bromofuran-3-carbonyl)-propan-2-ylamino]acetate
CID 106853479

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-hydroxy-5-methoxybenzoyl)-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[(2-hydroxy-5-methoxybenzoyl)-propan-2-ylamino]acetate (CID 60779348) is methyl 2-[(2-hydroxy-5-methoxybenzoyl)-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[(2-hydroxy-5-methoxybenzoyl)-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[(2-hydroxy-5-methoxybenzoyl)-propan-2-ylamino]acetate is COC(=O)CN(C(=O)c1cc(OC)ccc1O)C(C)C.
What is the InChIKey of methyl 2-[(2-hydroxy-5-methoxybenzoyl)-propan-2-ylamino]acetate?
The InChIKey is AYTNCKQRXIQRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-9(2)15(8-13(17)20-4)14(18)11-7-10(19-3)5-6-12(11)16/h5-7,9,16H,8H2,1-4H3.
What are the key properties of methyl 2-[(2-hydroxy-5-methoxybenzoyl)-propan-2-ylamino]acetate?
methyl 2-[(2-hydroxy-5-methoxybenzoyl)-propan-2-ylamino]acetate has a molecular weight of 281.31 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-hydroxy-5-methoxybenzoyl)-propan-2-ylamino]acetate is sourced from PubChem (CID 60779348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).