2-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]furan-2-yl]acetic acid

C12H16N2O5 — CID 114217757

IUPAC2-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]furan-2-yl]acetic acid
SMILESCC(C)NC(=O)CNC(=O)c1ccoc1CC(=O)O
InChIInChI=1S/C12H16N2O5/c1-7(2)14-10(15)6-13-12(18)8-3-4-19-9(8)5-11(16)17/h3-4,7H,5-6H2,1-2H3,(H,13,18)(H,14,15)(H,16,17)
InChIKeyXYUSXBRHXHSJLV-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.16
Rot. Bonds6

About 2-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]furan-2-yl]acetic acid

2-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]furan-2-yl]acetic acid (PubChem CID 114217757) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]furan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]furan-2-yl]acetic acid
PubChem CID114217757
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name2-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]furan-2-yl]acetic acid
SMILESCC(C)NC(=O)CNC(=O)c1ccoc1CC(=O)O
InChIInChI=1S/C12H16N2O5/c1-7(2)14-10(15)6-13-12(18)8-3-4-19-9(8)5-11(16)17/h3-4,7H,5-6H2,1-2H3,(H,13,18)(H,14,15)(H,16,17)
InChIKeyXYUSXBRHXHSJLV-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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]furan-2-yl]acetic acid?
The IUPAC name of 2-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]furan-2-yl]acetic acid (CID 114217757) is 2-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]furan-2-yl]acetic acid.
What is the SMILES notation for 2-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]furan-2-yl]acetic acid?
The canonical SMILES for 2-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]furan-2-yl]acetic acid is CC(C)NC(=O)CNC(=O)c1ccoc1CC(=O)O.
What is the InChIKey of 2-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]furan-2-yl]acetic acid?
The InChIKey is XYUSXBRHXHSJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-7(2)14-10(15)6-13-12(18)8-3-4-19-9(8)5-11(16)17/h3-4,7H,5-6H2,1-2H3,(H,13,18)(H,14,15)(H,16,17).
What are the key properties of 2-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]furan-2-yl]acetic acid?
2-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]furan-2-yl]acetic 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-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]furan-2-yl]acetic acid is sourced from PubChem (CID 114217757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).