methyl 3-[(2-aminobenzoyl)amino]propanoate

C11H14N2O3 — CID 43219195

IUPACmethyl 3-[(2-aminobenzoyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)c1ccccc1N
InChIInChI=1S/C11H14N2O3/c1-16-10(14)6-7-13-11(15)8-4-2-3-5-9(8)12/h2-5H,6-7,12H2,1H3,(H,13,15)
InChIKeyYHXGSAACRUKPHL-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.56
Rot. Bonds4

About methyl 3-[(2-aminobenzoyl)amino]propanoate

methyl 3-[(2-aminobenzoyl)amino]propanoate (PubChem CID 43219195) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is methyl 3-[(2-aminobenzoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-aminobenzoyl)amino]propanoate
PubChem CID43219195
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Namemethyl 3-[(2-aminobenzoyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)c1ccccc1N
InChIInChI=1S/C11H14N2O3/c1-16-10(14)6-7-13-11(15)8-4-2-3-5-9(8)12/h2-5H,6-7,12H2,1H3,(H,13,15)
InChIKeyYHXGSAACRUKPHL-UHFFFAOYSA-N
XLogP0.56
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-aminobenzoyl)amino]propanoate?
The IUPAC name of methyl 3-[(2-aminobenzoyl)amino]propanoate (CID 43219195) is methyl 3-[(2-aminobenzoyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(2-aminobenzoyl)amino]propanoate?
The canonical SMILES for methyl 3-[(2-aminobenzoyl)amino]propanoate is COC(=O)CCNC(=O)c1ccccc1N.
What is the InChIKey of methyl 3-[(2-aminobenzoyl)amino]propanoate?
The InChIKey is YHXGSAACRUKPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-16-10(14)6-7-13-11(15)8-4-2-3-5-9(8)12/h2-5H,6-7,12H2,1H3,(H,13,15).
What are the key properties of methyl 3-[(2-aminobenzoyl)amino]propanoate?
methyl 3-[(2-aminobenzoyl)amino]propanoate has a molecular weight of 222.24 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-aminobenzoyl)amino]propanoate is sourced from PubChem (CID 43219195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).