2-[2-[3-(furan-2-carbonyl)phenyl]propanoylamino]propanoic acid

C17H17NO5 — CID 67200124

IUPAC2-[2-[3-(furan-2-carbonyl)phenyl]propanoylamino]propanoic acid
SMILESCC(NC(=O)C(C)c1cccc(C(=O)c2ccco2)c1)C(=O)O
InChIInChI=1S/C17H17NO5/c1-10(16(20)18-11(2)17(21)22)12-5-3-6-13(9-12)15(19)14-7-4-8-23-14/h3-11H,1-2H3,(H,18,20)(H,21,22)
InChIKeyUOZMHOLOTKSDBC-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.20
Rot. Bonds6

About 2-[2-[3-(furan-2-carbonyl)phenyl]propanoylamino]propanoic acid

2-[2-[3-(furan-2-carbonyl)phenyl]propanoylamino]propanoic acid (PubChem CID 67200124) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-[2-[3-(furan-2-carbonyl)phenyl]propanoylamino]propanoic acid.

Molecular Properties

Compound Name2-[2-[3-(furan-2-carbonyl)phenyl]propanoylamino]propanoic acid
PubChem CID67200124
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Name2-[2-[3-(furan-2-carbonyl)phenyl]propanoylamino]propanoic acid
SMILESCC(NC(=O)C(C)c1cccc(C(=O)c2ccco2)c1)C(=O)O
InChIInChI=1S/C17H17NO5/c1-10(16(20)18-11(2)17(21)22)12-5-3-6-13(9-12)15(19)14-7-4-8-23-14/h3-11H,1-2H3,(H,18,20)(H,21,22)
InChIKeyUOZMHOLOTKSDBC-UHFFFAOYSA-N
XLogP2.20
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[2-(3-chlorophenyl)propanoylamino]propanoic acid
CID 119943058
N-[(2S)-2,5-dihydro-1,3-thiazol-2-yl]-2-[3-(furan-2-carbonyl)phenyl]propanamide
CID 91293700
(2S)-2-(furan-2-carbonylamino)propanoic acid
CID 792932
2-[3-(furan-2-carbonyl)phenyl]-N-[(2R)-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazol-2-yl]propanamide
CID 11545704
furan-2-yl-(3-propan-2-yloxyphenyl)methanone
CID 62919464
(2S)-2-(3-benzoylphenyl)(113C)propanoic acid
CID 10706176
(2R)-2-(3-benzoylphenyl)propanoic acid;2-(3-benzoylphenyl)propanoic acid
CID 159553712
(2R)-2-[3-(furan-2-carbonyl)phenyl]-N-[5-(trifluoromethyl)thiopyran-2-ylidene]propanamide
CID 143242984
CID 66964934
CID 66964934
CID 157056025
CID 157056025
(2S)-2-amino-4-[2-(3-benzoylphenyl)propanoylamino]butanoic acid
CID 155451997
(2S)-2-[[3-[[(1S)-1-carboxyethyl]carbamoyl]benzoyl]amino]propanoic acid
CID 40571628

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(furan-2-carbonyl)phenyl]propanoylamino]propanoic acid?
The IUPAC name of 2-[2-[3-(furan-2-carbonyl)phenyl]propanoylamino]propanoic acid (CID 67200124) is 2-[2-[3-(furan-2-carbonyl)phenyl]propanoylamino]propanoic acid.
What is the SMILES notation for 2-[2-[3-(furan-2-carbonyl)phenyl]propanoylamino]propanoic acid?
The canonical SMILES for 2-[2-[3-(furan-2-carbonyl)phenyl]propanoylamino]propanoic acid is CC(NC(=O)C(C)c1cccc(C(=O)c2ccco2)c1)C(=O)O.
What is the InChIKey of 2-[2-[3-(furan-2-carbonyl)phenyl]propanoylamino]propanoic acid?
The InChIKey is UOZMHOLOTKSDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5/c1-10(16(20)18-11(2)17(21)22)12-5-3-6-13(9-12)15(19)14-7-4-8-23-14/h3-11H,1-2H3,(H,18,20)(H,21,22).
What are the key properties of 2-[2-[3-(furan-2-carbonyl)phenyl]propanoylamino]propanoic acid?
2-[2-[3-(furan-2-carbonyl)phenyl]propanoylamino]propanoic acid has a molecular weight of 315.33 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(furan-2-carbonyl)phenyl]propanoylamino]propanoic acid is sourced from PubChem (CID 67200124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).