3-(2-carbamoylanilino)propanoate

C10H11N2O3- — CID 40564413

IUPAC3-(2-carbamoylanilino)propanoate
SMILESNC(=O)c1ccccc1NCCC(=O)[O-]
InChIInChI=1S/C10H12N2O3/c11-10(15)7-3-1-2-4-8(7)12-6-5-9(13)14/h1-4,12H,5-6H2,(H2,11,15)(H,13,14)/p-1
InChIKeyZIVATYBVAYLKBR-UHFFFAOYSA-M
MW207.21 g/mol
LogP-0.66
Rot. Bonds5

About 3-(2-carbamoylanilino)propanoate

3-(2-carbamoylanilino)propanoate (PubChem CID 40564413) has the molecular formula C10H11N2O3- and a molecular weight of 207.21 g/mol. Its IUPAC name is 3-(2-carbamoylanilino)propanoate.

Molecular Properties

Compound Name3-(2-carbamoylanilino)propanoate
PubChem CID40564413
Molecular FormulaC10H11N2O3-
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Name3-(2-carbamoylanilino)propanoate
SMILESNC(=O)c1ccccc1NCCC(=O)[O-]
InChIInChI=1S/C10H12N2O3/c11-10(15)7-3-1-2-4-8(7)12-6-5-9(13)14/h1-4,12H,5-6H2,(H2,11,15)(H,13,14)/p-1
InChIKeyZIVATYBVAYLKBR-UHFFFAOYSA-M
XLogP-0.66
TPSA95.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(2-pyridin-2-ylethylamino)benzamide
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2-(3-aminopropanoylamino)benzamide
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2-[[2-(ethylamino)benzoyl]amino]benzamide
CID 63107722
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Frequently Asked Questions

What is the IUPAC name of 3-(2-carbamoylanilino)propanoate?
The IUPAC name of 3-(2-carbamoylanilino)propanoate (CID 40564413) is 3-(2-carbamoylanilino)propanoate.
What is the SMILES notation for 3-(2-carbamoylanilino)propanoate?
The canonical SMILES for 3-(2-carbamoylanilino)propanoate is NC(=O)c1ccccc1NCCC(=O)[O-].
What is the InChIKey of 3-(2-carbamoylanilino)propanoate?
The InChIKey is ZIVATYBVAYLKBR-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H12N2O3/c11-10(15)7-3-1-2-4-8(7)12-6-5-9(13)14/h1-4,12H,5-6H2,(H2,11,15)(H,13,14)/p-1.
What are the key properties of 3-(2-carbamoylanilino)propanoate?
3-(2-carbamoylanilino)propanoate has a molecular weight of 207.21 g/mol, XLogP of -0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-carbamoylanilino)propanoate is sourced from PubChem (CID 40564413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).