2-[2-[(5-chlorofuran-2-carbonyl)amino]ethoxy]acetic acid

C9H10ClNO5 — CID 79468837

IUPAC2-[2-[(5-chlorofuran-2-carbonyl)amino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)c1ccc(Cl)o1
InChIInChI=1S/C9H10ClNO5/c10-7-2-1-6(16-7)9(14)11-3-4-15-5-8(12)13/h1-2H,3-5H2,(H,11,14)(H,12,13)
InChIKeyOQOSERFRGWODNM-UHFFFAOYSA-N
MW247.63 g/mol
LogP0.76
Rot. Bonds6

About 2-[2-[(5-chlorofuran-2-carbonyl)amino]ethoxy]acetic acid

2-[2-[(5-chlorofuran-2-carbonyl)amino]ethoxy]acetic acid (PubChem CID 79468837) has the molecular formula C9H10ClNO5 and a molecular weight of 247.63 g/mol. Its IUPAC name is 2-[2-[(5-chlorofuran-2-carbonyl)amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(5-chlorofuran-2-carbonyl)amino]ethoxy]acetic acid
PubChem CID79468837
Molecular FormulaC9H10ClNO5
Molecular Weight247.63 g/mol
Exact Mass247.02
IUPAC Name2-[2-[(5-chlorofuran-2-carbonyl)amino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)c1ccc(Cl)o1
InChIInChI=1S/C9H10ClNO5/c10-7-2-1-6(16-7)9(14)11-3-4-15-5-8(12)13/h1-2H,3-5H2,(H,11,14)(H,12,13)
InChIKeyOQOSERFRGWODNM-UHFFFAOYSA-N
XLogP0.76
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.63
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(7-bromo-1-benzofuran-2-carbonyl)amino]ethoxy]acetic acid
CID 79457540
5-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]furan-2-carboxylic acid
CID 114162732
5-chloro-N-[2-(4-hydroxyphenyl)ethyl]furan-2-carboxamide
CID 54903867
2-[2-[(3-chloropyridine-4-carbonyl)amino]ethoxy]acetic acid
CID 79456698
5-chloro-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide
CID 32754386
5-chloro-N-[2-(ethylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119508521
5-chloro-N-[2-(propylamino)ethyl]furan-2-carboxamide
CID 62659012
5-chloro-N-[2-(2-methylcyclohexyl)oxyethyl]furan-2-carboxamide
CID 51115806
2-[4-[(5-chlorofuran-2-carbonyl)amino]phenoxy]acetic acid
CID 62033918
2-[2-[[4-[(dimethylamino)methyl]benzoyl]amino]ethoxy]acetic acid
CID 79469254
2-[2-[(4-fluorobenzoyl)amino]ethoxy]acetic acid
CID 79456610
3-[(5-chlorofuran-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66165991

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-chlorofuran-2-carbonyl)amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(5-chlorofuran-2-carbonyl)amino]ethoxy]acetic acid (CID 79468837) is 2-[2-[(5-chlorofuran-2-carbonyl)amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(5-chlorofuran-2-carbonyl)amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(5-chlorofuran-2-carbonyl)amino]ethoxy]acetic acid is O=C(O)COCCNC(=O)c1ccc(Cl)o1.
What is the InChIKey of 2-[2-[(5-chlorofuran-2-carbonyl)amino]ethoxy]acetic acid?
The InChIKey is OQOSERFRGWODNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO5/c10-7-2-1-6(16-7)9(14)11-3-4-15-5-8(12)13/h1-2H,3-5H2,(H,11,14)(H,12,13).
What are the key properties of 2-[2-[(5-chlorofuran-2-carbonyl)amino]ethoxy]acetic acid?
2-[2-[(5-chlorofuran-2-carbonyl)amino]ethoxy]acetic acid has a molecular weight of 247.63 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-chlorofuran-2-carbonyl)amino]ethoxy]acetic acid is sourced from PubChem (CID 79468837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).