2-[5-[4-(cyclopropanecarbonylamino)phenyl]furan-2-yl]acetic acid

C16H15NO4 — CID 82368563

IUPAC2-[5-[4-(cyclopropanecarbonylamino)phenyl]furan-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(-c2ccc(NC(=O)C3CC3)cc2)o1
InChIInChI=1S/C16H15NO4/c18-15(19)9-13-7-8-14(21-13)10-3-5-12(6-4-10)17-16(20)11-1-2-11/h3-8,11H,1-2,9H2,(H,17,20)(H,18,19)
InChIKeyLPCOQTQBARAXKL-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.92
Rot. Bonds5

About 2-[5-[4-(cyclopropanecarbonylamino)phenyl]furan-2-yl]acetic acid

2-[5-[4-(cyclopropanecarbonylamino)phenyl]furan-2-yl]acetic acid (PubChem CID 82368563) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[5-[4-(cyclopropanecarbonylamino)phenyl]furan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[4-(cyclopropanecarbonylamino)phenyl]furan-2-yl]acetic acid
PubChem CID82368563
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name2-[5-[4-(cyclopropanecarbonylamino)phenyl]furan-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(-c2ccc(NC(=O)C3CC3)cc2)o1
InChIInChI=1S/C16H15NO4/c18-15(19)9-13-7-8-14(21-13)10-3-5-12(6-4-10)17-16(20)11-1-2-11/h3-8,11H,1-2,9H2,(H,17,20)(H,18,19)
InChIKeyLPCOQTQBARAXKL-UHFFFAOYSA-N
XLogP2.92
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-[[4-(cyclopropanecarbonylamino)benzoyl]amino]phenyl]furan-2-carboxylic acid
CID 69466458
3-[4-(cyclopropanecarbonylamino)anilino]-3-oxopropanoic acid
CID 62232243
5-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide
CID 23768234
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]cyclopropanecarboxamide
CID 36895021
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]acetic acid
CID 24700813
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
N-[4-[5-(aminomethyl)-1,2-oxazol-3-yl]phenyl]cyclopropanecarboxamide
CID 82371377
2-[[2-[4-(cyclohexanecarbonylamino)phenyl]acetyl]amino]acetic acid
CID 119224306
2-[[2-[4-(cyclooctanecarbonylamino)phenyl]acetyl]amino]acetic acid
CID 120523438

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(cyclopropanecarbonylamino)phenyl]furan-2-yl]acetic acid?
The IUPAC name of 2-[5-[4-(cyclopropanecarbonylamino)phenyl]furan-2-yl]acetic acid (CID 82368563) is 2-[5-[4-(cyclopropanecarbonylamino)phenyl]furan-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[4-(cyclopropanecarbonylamino)phenyl]furan-2-yl]acetic acid?
The canonical SMILES for 2-[5-[4-(cyclopropanecarbonylamino)phenyl]furan-2-yl]acetic acid is O=C(O)Cc1ccc(-c2ccc(NC(=O)C3CC3)cc2)o1.
What is the InChIKey of 2-[5-[4-(cyclopropanecarbonylamino)phenyl]furan-2-yl]acetic acid?
The InChIKey is LPCOQTQBARAXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c18-15(19)9-13-7-8-14(21-13)10-3-5-12(6-4-10)17-16(20)11-1-2-11/h3-8,11H,1-2,9H2,(H,17,20)(H,18,19).
What are the key properties of 2-[5-[4-(cyclopropanecarbonylamino)phenyl]furan-2-yl]acetic acid?
2-[5-[4-(cyclopropanecarbonylamino)phenyl]furan-2-yl]acetic acid has a molecular weight of 285.30 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(cyclopropanecarbonylamino)phenyl]furan-2-yl]acetic acid is sourced from PubChem (CID 82368563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).