2-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]furan-3-carboxylic acid

C12H16N2O5 — CID 112748987

IUPAC2-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]furan-3-carboxylic acid
SMILESCC(C)NC(=O)CNC(=O)Cc1occc1C(=O)O
InChIInChI=1S/C12H16N2O5/c1-7(2)14-11(16)6-13-10(15)5-9-8(12(17)18)3-4-19-9/h3-4,7H,5-6H2,1-2H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyQEJODNSEFWCNAJ-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.16
Rot. Bonds6

About 2-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]furan-3-carboxylic acid

2-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]furan-3-carboxylic acid (PubChem CID 112748987) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]furan-3-carboxylic acid
PubChem CID112748987
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name2-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]furan-3-carboxylic acid
SMILESCC(C)NC(=O)CNC(=O)Cc1occc1C(=O)O
InChIInChI=1S/C12H16N2O5/c1-7(2)14-11(16)6-13-10(15)5-9-8(12(17)18)3-4-19-9/h3-4,7H,5-6H2,1-2H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyQEJODNSEFWCNAJ-UHFFFAOYSA-N
XLogP0.16
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]furan-3-carboxylic acid with MolForge

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Related Compounds

2-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]furan-2-yl]acetic acid
CID 114217757
2-[[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]methyl]furan-3-carboxylic acid
CID 103262470
2-[2-(dicyclopropylmethylamino)-2-oxoethyl]furan-3-carboxylic acid
CID 112749030
2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]benzoic acid
CID 43567862
2-[2-oxo-2-(piperidin-1-ylamino)ethyl]furan-3-carboxylic acid
CID 112749081
N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(4-sulfanylphenyl)acetamide
CID 107023123
2-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 23825130
5-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]furan-3-carboxylic acid
CID 113432244
2-(4-acetamidophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 9301966
2-(2-methylpropylsulfonylmethyl)furan-3-carboxylic acid
CID 43477675
2-[[(4-hydroxy-3-methylbutan-2-yl)amino]methyl]furan-3-carboxylic acid
CID 103265787
2-[2-oxo-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]ethyl]benzoic acid
CID 115923717

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]furan-3-carboxylic acid?
The IUPAC name of 2-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]furan-3-carboxylic acid (CID 112748987) is 2-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]furan-3-carboxylic acid is CC(C)NC(=O)CNC(=O)Cc1occc1C(=O)O.
What is the InChIKey of 2-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]furan-3-carboxylic acid?
The InChIKey is QEJODNSEFWCNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-7(2)14-11(16)6-13-10(15)5-9-8(12(17)18)3-4-19-9/h3-4,7H,5-6H2,1-2H3,(H,13,15)(H,14,16)(H,17,18).
What are the key properties of 2-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]furan-3-carboxylic acid?
2-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]furan-3-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 0.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]furan-3-carboxylic acid is sourced from PubChem (CID 112748987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).