methyl 2-(3-carbamoylanilino)propanoate

C11H14N2O3 — CID 66174696

IUPACmethyl 2-(3-carbamoylanilino)propanoate
SMILESCOC(=O)C(C)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C11H14N2O3/c1-7(11(15)16-2)13-9-5-3-4-8(6-9)10(12)14/h3-7,13H,1-2H3,(H2,12,14)
InChIKeyWJWHZLSYYYFQSG-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.76
Rot. Bonds4

About methyl 2-(3-carbamoylanilino)propanoate

methyl 2-(3-carbamoylanilino)propanoate (PubChem CID 66174696) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is methyl 2-(3-carbamoylanilino)propanoate.

Molecular Properties

Compound Namemethyl 2-(3-carbamoylanilino)propanoate
PubChem CID66174696
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Namemethyl 2-(3-carbamoylanilino)propanoate
SMILESCOC(=O)C(C)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C11H14N2O3/c1-7(11(15)16-2)13-9-5-3-4-8(6-9)10(12)14/h3-7,13H,1-2H3,(H2,12,14)
InChIKeyWJWHZLSYYYFQSG-UHFFFAOYSA-N
XLogP0.76
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 ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-(propan-2-ylcarbamoyl)anilino]propanoate
CID 66173914
methyl 2-anilinopropanoate
CID 3417283
3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide
CID 103603772
methyl (2R)-2-[(3-carbamoylbenzoyl)amino]propanoate
CID 113257904
3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]benzamide
CID 18086394
3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]benzamide
CID 103600833
3-[1-(4-hydroxyphenyl)ethylamino]benzamide
CID 43202853
methyl 2-[3-(cyclopropanecarbonylamino)anilino]propanoate
CID 66173088
3-(methylamino)benzamide
CID 18727714
3-[1-(2-methoxy-4-methylphenyl)ethylamino]benzamide
CID 43767621
methyl 3-(3-carbamoylphenoxy)-2-methylpropanoate
CID 43537890
4-[2-(3-acetylanilino)propanoylamino]benzamide
CID 46667199

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-carbamoylanilino)propanoate?
The IUPAC name of methyl 2-(3-carbamoylanilino)propanoate (CID 66174696) is methyl 2-(3-carbamoylanilino)propanoate.
What is the SMILES notation for methyl 2-(3-carbamoylanilino)propanoate?
The canonical SMILES for methyl 2-(3-carbamoylanilino)propanoate is COC(=O)C(C)Nc1cccc(C(N)=O)c1.
What is the InChIKey of methyl 2-(3-carbamoylanilino)propanoate?
The InChIKey is WJWHZLSYYYFQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7(11(15)16-2)13-9-5-3-4-8(6-9)10(12)14/h3-7,13H,1-2H3,(H2,12,14).
What are the key properties of methyl 2-(3-carbamoylanilino)propanoate?
methyl 2-(3-carbamoylanilino)propanoate has a molecular weight of 222.24 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-carbamoylanilino)propanoate is sourced from PubChem (CID 66174696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).