2-[2-[1-(furan-2-yl)ethylcarbamoylamino]ethoxy]acetic acid

C11H16N2O5 — CID 79464025

IUPAC2-[2-[1-(furan-2-yl)ethylcarbamoylamino]ethoxy]acetic acid
SMILESCC(NC(=O)NCCOCC(=O)O)c1ccco1
InChIInChI=1S/C11H16N2O5/c1-8(9-3-2-5-18-9)13-11(16)12-4-6-17-7-10(14)15/h2-3,5,8H,4,6-7H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyZVWMPWULGMNLEC-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.74
Rot. Bonds7

About 2-[2-[1-(furan-2-yl)ethylcarbamoylamino]ethoxy]acetic acid

2-[2-[1-(furan-2-yl)ethylcarbamoylamino]ethoxy]acetic acid (PubChem CID 79464025) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-[2-[1-(furan-2-yl)ethylcarbamoylamino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[1-(furan-2-yl)ethylcarbamoylamino]ethoxy]acetic acid
PubChem CID79464025
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name2-[2-[1-(furan-2-yl)ethylcarbamoylamino]ethoxy]acetic acid
SMILESCC(NC(=O)NCCOCC(=O)O)c1ccco1
InChIInChI=1S/C11H16N2O5/c1-8(9-3-2-5-18-9)13-11(16)12-4-6-17-7-10(14)15/h2-3,5,8H,4,6-7H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyZVWMPWULGMNLEC-UHFFFAOYSA-N
XLogP0.74
TPSA100.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.74
H-Bond Donors ≤ 53
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-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid
CID 81408914
1-[1-(furan-2-yl)ethyl]-3-propylurea
CID 110748894
4-[1-(furan-2-yl)ethylcarbamoylamino]-2-methylbutanoic acid
CID 80540877
1-butyl-3-[1-(furan-2-yl)ethyl]urea
CID 47113388
2-[2-[1-(2-fluorophenyl)ethylcarbamoylamino]ethoxy]acetic acid
CID 79463734
2-[2-[2-(furan-2-yl)ethylcarbamoylamino]ethoxy]acetic acid
CID 79463732
2-[2-(1-phenylpropan-2-ylcarbamoylamino)ethoxy]acetic acid
CID 79464414
2-[2-(4-phenylbutan-2-ylcarbamoylamino)ethoxy]acetic acid
CID 79463522
3-[1-(furan-2-yl)ethylcarbamoylamino]-2,2-dimethylpropanoic acid
CID 115428423
2-[1-(furan-2-yl)ethylcarbamoylamino]propanoic acid
CID 61199815
1-[(4-ethylcyclohexyl)methyl]-3-[1-(furan-2-yl)ethyl]urea
CID 86849465
4-[1-(furan-2-yl)ethylamino]-4-oxobutanoic acid
CID 43535656

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(furan-2-yl)ethylcarbamoylamino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[1-(furan-2-yl)ethylcarbamoylamino]ethoxy]acetic acid (CID 79464025) is 2-[2-[1-(furan-2-yl)ethylcarbamoylamino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[1-(furan-2-yl)ethylcarbamoylamino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[1-(furan-2-yl)ethylcarbamoylamino]ethoxy]acetic acid is CC(NC(=O)NCCOCC(=O)O)c1ccco1.
What is the InChIKey of 2-[2-[1-(furan-2-yl)ethylcarbamoylamino]ethoxy]acetic acid?
The InChIKey is ZVWMPWULGMNLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-8(9-3-2-5-18-9)13-11(16)12-4-6-17-7-10(14)15/h2-3,5,8H,4,6-7H2,1H3,(H,14,15)(H2,12,13,16).
What are the key properties of 2-[2-[1-(furan-2-yl)ethylcarbamoylamino]ethoxy]acetic acid?
2-[2-[1-(furan-2-yl)ethylcarbamoylamino]ethoxy]acetic acid has a molecular weight of 256.26 g/mol, XLogP of 0.74, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(furan-2-yl)ethylcarbamoylamino]ethoxy]acetic acid is sourced from PubChem (CID 79464025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).