methyl 3-[[2-[acetyl(methyl)amino]benzoyl]amino]-2-hydroxypropanoate

C14H18N2O5 — CID 103958098

IUPACmethyl 3-[[2-[acetyl(methyl)amino]benzoyl]amino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)c1ccccc1N(C)C(C)=O
InChIInChI=1S/C14H18N2O5/c1-9(17)16(2)11-7-5-4-6-10(11)13(19)15-8-12(18)14(20)21-3/h4-7,12,18H,8H2,1-3H3,(H,15,19)
InChIKeyKIWFUIOFIJHITK-UHFFFAOYSA-N
MW294.31 g/mol
LogP-0.07
Rot. Bonds5

About methyl 3-[[2-[acetyl(methyl)amino]benzoyl]amino]-2-hydroxypropanoate

methyl 3-[[2-[acetyl(methyl)amino]benzoyl]amino]-2-hydroxypropanoate (PubChem CID 103958098) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is methyl 3-[[2-[acetyl(methyl)amino]benzoyl]amino]-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-[[2-[acetyl(methyl)amino]benzoyl]amino]-2-hydroxypropanoate
PubChem CID103958098
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Namemethyl 3-[[2-[acetyl(methyl)amino]benzoyl]amino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)c1ccccc1N(C)C(C)=O
InChIInChI=1S/C14H18N2O5/c1-9(17)16(2)11-7-5-4-6-10(11)13(19)15-8-12(18)14(20)21-3/h4-7,12,18H,8H2,1-3H3,(H,15,19)
InChIKeyKIWFUIOFIJHITK-UHFFFAOYSA-N
XLogP-0.07
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[acetyl(methyl)amino]-N-(2-hydroxypentyl)benzamide
CID 115700978
2-[acetyl(methyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103755895
methyl 2-hydroxy-3-[(2-hydroxybenzoyl)amino]propanoate
CID 113344182
methyl 3-[(2-bromobenzoyl)amino]-2-hydroxypropanoate
CID 103879318
2-[acetyl(methyl)amino]-N-(3-hydroxypentyl)benzamide
CID 115703920
methyl (2R)-3-benzamido-2-hydroxypropanoate
CID 100946416
2-[2-[(2-hydroxy-3-methoxy-3-oxopropyl)amino]-2-oxoethyl]benzoic acid
CID 107214934
2-[acetyl(methyl)amino]-N-(2,2,2-trifluoroethoxy)benzamide
CID 81340040
methyl 3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-2-hydroxypropanoate
CID 104889728
1-[[[2-[acetyl(methyl)amino]benzoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449575
(2S,3R)-2-[[2-[acetyl(methyl)amino]benzoyl]amino]-3-hydroxybutanoic acid
CID 104964612
2-[[2-[acetyl(methyl)amino]benzoyl]amino]butanoic acid
CID 43469297

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[acetyl(methyl)amino]benzoyl]amino]-2-hydroxypropanoate?
The IUPAC name of methyl 3-[[2-[acetyl(methyl)amino]benzoyl]amino]-2-hydroxypropanoate (CID 103958098) is methyl 3-[[2-[acetyl(methyl)amino]benzoyl]amino]-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-[[2-[acetyl(methyl)amino]benzoyl]amino]-2-hydroxypropanoate?
The canonical SMILES for methyl 3-[[2-[acetyl(methyl)amino]benzoyl]amino]-2-hydroxypropanoate is COC(=O)C(O)CNC(=O)c1ccccc1N(C)C(C)=O.
What is the InChIKey of methyl 3-[[2-[acetyl(methyl)amino]benzoyl]amino]-2-hydroxypropanoate?
The InChIKey is KIWFUIOFIJHITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-9(17)16(2)11-7-5-4-6-10(11)13(19)15-8-12(18)14(20)21-3/h4-7,12,18H,8H2,1-3H3,(H,15,19).
What are the key properties of methyl 3-[[2-[acetyl(methyl)amino]benzoyl]amino]-2-hydroxypropanoate?
methyl 3-[[2-[acetyl(methyl)amino]benzoyl]amino]-2-hydroxypropanoate has a molecular weight of 294.31 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[acetyl(methyl)amino]benzoyl]amino]-2-hydroxypropanoate is sourced from PubChem (CID 103958098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).