methyl 3-[(2,4-dihydroxybenzoyl)-methylamino]-2-methylpropanoate

C13H17NO5 — CID 55008203

IUPACmethyl 3-[(2,4-dihydroxybenzoyl)-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)C(=O)c1ccc(O)cc1O
InChIInChI=1S/C13H17NO5/c1-8(13(18)19-3)7-14(2)12(17)10-5-4-9(15)6-11(10)16/h4-6,8,15-16H,7H2,1-3H3
InChIKeyPGRNJBGHMBEITN-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.98
Rot. Bonds4

About methyl 3-[(2,4-dihydroxybenzoyl)-methylamino]-2-methylpropanoate

methyl 3-[(2,4-dihydroxybenzoyl)-methylamino]-2-methylpropanoate (PubChem CID 55008203) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is methyl 3-[(2,4-dihydroxybenzoyl)-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(2,4-dihydroxybenzoyl)-methylamino]-2-methylpropanoate
PubChem CID55008203
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Namemethyl 3-[(2,4-dihydroxybenzoyl)-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)C(=O)c1ccc(O)cc1O
InChIInChI=1S/C13H17NO5/c1-8(13(18)19-3)7-14(2)12(17)10-5-4-9(15)6-11(10)16/h4-6,8,15-16H,7H2,1-3H3
InChIKeyPGRNJBGHMBEITN-UHFFFAOYSA-N
XLogP0.98
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(2,4-dihydroxybenzoyl)-methylamino]-2-methylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(2,4-dihydroxybenzoyl)-methylamino]acetate
CID 43422761
methyl 3-[(2-fluorobenzoyl)-methylamino]-2-methylpropanoate
CID 61052680
3-[(2,4-dihydroxybenzoyl)-methylamino]propanoic acid
CID 60989735
4-bromo-2-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 103722401
methyl 3-[(3,5-dimethylbenzoyl)-methylamino]-2-methylpropanoate
CID 55007974
N-(2-aminopropyl)-2,5-dihydroxy-N-methylbenzamide
CID 107726322
methyl 3-[(4-amino-3-methoxybenzoyl)-methylamino]-2-methylpropanoate
CID 104782621
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-fluoro-4-hydroxy-N-methylbenzamide
CID 107676000
2,5-dihydroxy-N-(2-hydroxypropyl)-N-methylbenzamide
CID 107722894
methyl 3-[(2,6-dichlorobenzoyl)-methylamino]-2-methylpropanoate
CID 55008393
methyl 3-[(2-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoate
CID 61051558
N-(2-cyanopropyl)-2-hydroxy-4-methoxy-N-methylbenzamide
CID 47402310

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,4-dihydroxybenzoyl)-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[(2,4-dihydroxybenzoyl)-methylamino]-2-methylpropanoate (CID 55008203) is methyl 3-[(2,4-dihydroxybenzoyl)-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[(2,4-dihydroxybenzoyl)-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[(2,4-dihydroxybenzoyl)-methylamino]-2-methylpropanoate is COC(=O)C(C)CN(C)C(=O)c1ccc(O)cc1O.
What is the InChIKey of methyl 3-[(2,4-dihydroxybenzoyl)-methylamino]-2-methylpropanoate?
The InChIKey is PGRNJBGHMBEITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-8(13(18)19-3)7-14(2)12(17)10-5-4-9(15)6-11(10)16/h4-6,8,15-16H,7H2,1-3H3.
What are the key properties of methyl 3-[(2,4-dihydroxybenzoyl)-methylamino]-2-methylpropanoate?
methyl 3-[(2,4-dihydroxybenzoyl)-methylamino]-2-methylpropanoate has a molecular weight of 267.28 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,4-dihydroxybenzoyl)-methylamino]-2-methylpropanoate is sourced from PubChem (CID 55008203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).