2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]acetic acid

C9H9F2NO4S — CID 43354351

IUPAC2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(CSC(F)F)o1
InChIInChI=1S/C9H9F2NO4S/c10-9(11)17-4-5-1-2-6(16-5)8(15)12-3-7(13)14/h1-2,9H,3-4H2,(H,12,15)(H,13,14)
InChIKeyUMQFBGVRCVXLEQ-UHFFFAOYSA-N
MW265.24 g/mol
LogP1.55
Rot. Bonds6

About 2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]acetic acid

2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]acetic acid (PubChem CID 43354351) has the molecular formula C9H9F2NO4S and a molecular weight of 265.24 g/mol. Its IUPAC name is 2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]acetic acid
PubChem CID43354351
Molecular FormulaC9H9F2NO4S
Molecular Weight265.24 g/mol
Exact Mass265.02
IUPAC Name2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(CSC(F)F)o1
InChIInChI=1S/C9H9F2NO4S/c10-9(11)17-4-5-1-2-6(16-5)8(15)12-3-7(13)14/h1-2,9H,3-4H2,(H,12,15)(H,13,14)
InChIKeyUMQFBGVRCVXLEQ-UHFFFAOYSA-N
XLogP1.55
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(difluoromethylsulfanylmethyl)furan-2-carbohydrazide
CID 43244787
5-(difluoromethylsulfanylmethyl)-N-methoxyfuran-2-carboxamide
CID 60735591
5-(difluoromethylsulfanylmethyl)-N-(2-hydroxy-2-methylbutyl)furan-2-carboxamide
CID 65112616
2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]butanoic acid
CID 43469217
1-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 81158697
5-(difluoromethylsulfanylmethyl)-N-[2-(1H-imidazol-2-yl)ethyl]furan-2-carboxamide
CID 115668500
5-(difluoromethylsulfanylmethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-2-carboxamide
CID 64546592
2-[cyclopropyl-[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]acetic acid
CID 60827221
5-(difluoromethylsulfanylmethyl)-N-(4-hydroxy-2-methylbutan-2-yl)furan-2-carboxamide
CID 115968835
2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]-2-methylpentanoic acid
CID 43618801
2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]-prop-2-enylamino]acetic acid
CID 79257404
2-[[5-(phenoxymethyl)furan-2-carbonyl]amino]acetic acid
CID 82043257

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]acetic acid (CID 43354351) is 2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1ccc(CSC(F)F)o1.
What is the InChIKey of 2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]acetic acid?
The InChIKey is UMQFBGVRCVXLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO4S/c10-9(11)17-4-5-1-2-6(16-5)8(15)12-3-7(13)14/h1-2,9H,3-4H2,(H,12,15)(H,13,14).
What are the key properties of 2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]acetic acid?
2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]acetic acid has a molecular weight of 265.24 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 43354351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).