2-[[2-(furan-2-carbonylamino)benzoyl]amino]propanoate

C15H13N2O5- — CID 3487490

IUPAC2-[[2-(furan-2-carbonylamino)benzoyl]amino]propanoate
SMILESCC(NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)[O-]
InChIInChI=1S/C15H14N2O5/c1-9(15(20)21)16-13(18)10-5-2-3-6-11(10)17-14(19)12-7-4-8-22-12/h2-9H,1H3,(H,16,18)(H,17,19)(H,20,21)/p-1
InChIKeyOQUUHLBXFYAZAH-UHFFFAOYSA-M
MW301.28 g/mol
LogP0.40
Rot. Bonds5

About 2-[[2-(furan-2-carbonylamino)benzoyl]amino]propanoate

2-[[2-(furan-2-carbonylamino)benzoyl]amino]propanoate (PubChem CID 3487490) has the molecular formula C15H13N2O5- and a molecular weight of 301.28 g/mol. Its IUPAC name is 2-[[2-(furan-2-carbonylamino)benzoyl]amino]propanoate.

Molecular Properties

Compound Name2-[[2-(furan-2-carbonylamino)benzoyl]amino]propanoate
PubChem CID3487490
Molecular FormulaC15H13N2O5-
Molecular Weight301.28 g/mol
Exact Mass301.08
IUPAC Name2-[[2-(furan-2-carbonylamino)benzoyl]amino]propanoate
SMILESCC(NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)[O-]
InChIInChI=1S/C15H14N2O5/c1-9(15(20)21)16-13(18)10-5-2-3-6-11(10)17-14(19)12-7-4-8-22-12/h2-9H,1H3,(H,16,18)(H,17,19)(H,20,21)/p-1
InChIKeyOQUUHLBXFYAZAH-UHFFFAOYSA-M
XLogP0.40
TPSA111.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylbutanoate
CID 4158153
(2S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-phenylpropanoate
CID 7482305
(2R)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]butanoate
CID 7430265
(2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate
CID 7035399
(2S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]butanedioate
CID 7760340
N-[2-[[(2S)-1-(dicyclohexylamino)-1-oxopropan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 25357652
(2R,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoic acid
CID 829507
methyl (2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate
CID 7033926
N-[2-[(propanoylamino)carbamoyl]phenyl]furan-2-carboxamide
CID 126003002
2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-(1H-indol-3-yl)propanoate
CID 5187549
(2S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-(1H-indol-3-yl)propanoate
CID 6982398
N-[2-[[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 7612713

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(furan-2-carbonylamino)benzoyl]amino]propanoate?
The IUPAC name of 2-[[2-(furan-2-carbonylamino)benzoyl]amino]propanoate (CID 3487490) is 2-[[2-(furan-2-carbonylamino)benzoyl]amino]propanoate.
What is the SMILES notation for 2-[[2-(furan-2-carbonylamino)benzoyl]amino]propanoate?
The canonical SMILES for 2-[[2-(furan-2-carbonylamino)benzoyl]amino]propanoate is CC(NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)[O-].
What is the InChIKey of 2-[[2-(furan-2-carbonylamino)benzoyl]amino]propanoate?
The InChIKey is OQUUHLBXFYAZAH-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H14N2O5/c1-9(15(20)21)16-13(18)10-5-2-3-6-11(10)17-14(19)12-7-4-8-22-12/h2-9H,1H3,(H,16,18)(H,17,19)(H,20,21)/p-1.
What are the key properties of 2-[[2-(furan-2-carbonylamino)benzoyl]amino]propanoate?
2-[[2-(furan-2-carbonylamino)benzoyl]amino]propanoate has a molecular weight of 301.28 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(furan-2-carbonylamino)benzoyl]amino]propanoate is sourced from PubChem (CID 3487490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).