2-[3-[1-(oxolan-3-yl)ethylcarbamoyl]furan-2-yl]acetic acid

C13H17NO5 — CID 114217885

IUPAC2-[3-[1-(oxolan-3-yl)ethylcarbamoyl]furan-2-yl]acetic acid
SMILESCC(NC(=O)c1ccoc1CC(=O)O)C1CCOC1
InChIInChI=1S/C13H17NO5/c1-8(9-2-4-18-7-9)14-13(17)10-3-5-19-11(10)6-12(15)16/h3,5,8-9H,2,4,6-7H2,1H3,(H,14,17)(H,15,16)
InChIKeyKATDZJYNHSGBFG-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.06
Rot. Bonds5

About 2-[3-[1-(oxolan-3-yl)ethylcarbamoyl]furan-2-yl]acetic acid

2-[3-[1-(oxolan-3-yl)ethylcarbamoyl]furan-2-yl]acetic acid (PubChem CID 114217885) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[3-[1-(oxolan-3-yl)ethylcarbamoyl]furan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[1-(oxolan-3-yl)ethylcarbamoyl]furan-2-yl]acetic acid
PubChem CID114217885
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name2-[3-[1-(oxolan-3-yl)ethylcarbamoyl]furan-2-yl]acetic acid
SMILESCC(NC(=O)c1ccoc1CC(=O)O)C1CCOC1
InChIInChI=1S/C13H17NO5/c1-8(9-2-4-18-7-9)14-13(17)10-3-5-19-11(10)6-12(15)16/h3,5,8-9H,2,4,6-7H2,1H3,(H,14,17)(H,15,16)
InChIKeyKATDZJYNHSGBFG-UHFFFAOYSA-N
XLogP1.06
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113241572
2-chloro-5-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 106502198
4-[1-(oxolan-3-yl)ethylcarbamoyl]benzoic acid
CID 113263166
2-iodo-3-methyl-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113241559
2-[[2-[1-(oxan-4-yl)ethylcarbamoyl]phenyl]sulfanylmethyl]furan-3-carboxylic acid
CID 120692212
3-fluoro-2-(methylamino)-N-[1-(oxolan-3-yl)ethyl]pyridine-4-carboxamide
CID 105387635
2-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]furan-2-yl]acetic acid
CID 114217757
3-[[(1R)-1-[(3R)-oxolan-3-yl]ethyl]carbamoyl]benzoic acid
CID 124595766
3-bromo-2-chloro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 103990950
5-fluoro-2-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 115648956
2-fluoro-6-hydroxy-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]benzamide
CID 99614822
4-[1-(oxolan-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 113263165

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(oxolan-3-yl)ethylcarbamoyl]furan-2-yl]acetic acid?
The IUPAC name of 2-[3-[1-(oxolan-3-yl)ethylcarbamoyl]furan-2-yl]acetic acid (CID 114217885) is 2-[3-[1-(oxolan-3-yl)ethylcarbamoyl]furan-2-yl]acetic acid.
What is the SMILES notation for 2-[3-[1-(oxolan-3-yl)ethylcarbamoyl]furan-2-yl]acetic acid?
The canonical SMILES for 2-[3-[1-(oxolan-3-yl)ethylcarbamoyl]furan-2-yl]acetic acid is CC(NC(=O)c1ccoc1CC(=O)O)C1CCOC1.
What is the InChIKey of 2-[3-[1-(oxolan-3-yl)ethylcarbamoyl]furan-2-yl]acetic acid?
The InChIKey is KATDZJYNHSGBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-8(9-2-4-18-7-9)14-13(17)10-3-5-19-11(10)6-12(15)16/h3,5,8-9H,2,4,6-7H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 2-[3-[1-(oxolan-3-yl)ethylcarbamoyl]furan-2-yl]acetic acid?
2-[3-[1-(oxolan-3-yl)ethylcarbamoyl]furan-2-yl]acetic acid has a molecular weight of 267.28 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(oxolan-3-yl)ethylcarbamoyl]furan-2-yl]acetic acid is sourced from PubChem (CID 114217885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).