methyl 3-[(2-hydroxyacetyl)amino]benzoate

C10H11NO4 — CID 82113146

IUPACmethyl 3-[(2-hydroxyacetyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)CO)c1
InChIInChI=1S/C10H11NO4/c1-15-10(14)7-3-2-4-8(5-7)11-9(13)6-12/h2-5,12H,6H2,1H3,(H,11,13)
InChIKeyNTINTLGKQGYGKX-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.40
Rot. Bonds3

About methyl 3-[(2-hydroxyacetyl)amino]benzoate

methyl 3-[(2-hydroxyacetyl)amino]benzoate (PubChem CID 82113146) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is methyl 3-[(2-hydroxyacetyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(2-hydroxyacetyl)amino]benzoate
PubChem CID82113146
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Namemethyl 3-[(2-hydroxyacetyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)CO)c1
InChIInChI=1S/C10H11NO4/c1-15-10(14)7-3-2-4-8(5-7)11-9(13)6-12/h2-5,12H,6H2,1H3,(H,11,13)
InChIKeyNTINTLGKQGYGKX-UHFFFAOYSA-N
XLogP0.40
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(3-anilino-3-oxopropanoyl)amino]benzoate
CID 108952857
methyl 3-[(3-amino-3-methylbutanoyl)amino]benzoate
CID 64679224
methyl 3-[(2-methylsulfonylacetyl)amino]benzoate
CID 61344209
methyl 3-[[3-(4-bromoanilino)-3-oxopropanoyl]amino]benzoate
CID 108955494
methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]benzoate
CID 61254044
methyl 3-(2-ethylbutanoylamino)benzoate
CID 43404089
methyl 3-(carbamoylamino)benzoate
CID 2822841
methyl 3-[[3-(3,4-difluoroanilino)-3-oxopropanoyl]amino]benzoate
CID 108956359
methyl 3-[[2-(ethoxycarbonylamino)acetyl]amino]benzoate
CID 112999894
methyl 3-(decanoylamino)benzoate
CID 142485980
methyl 3-[(2,2-difluoroacetyl)amino]benzoate
CID 103600805
methyl 3-[(2-anilino-2-oxoacetyl)amino]benzoate
CID 108986708

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-hydroxyacetyl)amino]benzoate?
The IUPAC name of methyl 3-[(2-hydroxyacetyl)amino]benzoate (CID 82113146) is methyl 3-[(2-hydroxyacetyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(2-hydroxyacetyl)amino]benzoate?
The canonical SMILES for methyl 3-[(2-hydroxyacetyl)amino]benzoate is COC(=O)c1cccc(NC(=O)CO)c1.
What is the InChIKey of methyl 3-[(2-hydroxyacetyl)amino]benzoate?
The InChIKey is NTINTLGKQGYGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-15-10(14)7-3-2-4-8(5-7)11-9(13)6-12/h2-5,12H,6H2,1H3,(H,11,13).
What are the key properties of methyl 3-[(2-hydroxyacetyl)amino]benzoate?
methyl 3-[(2-hydroxyacetyl)amino]benzoate has a molecular weight of 209.20 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-hydroxyacetyl)amino]benzoate is sourced from PubChem (CID 82113146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).