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

C11H16N2O5 — CID 79463732

IUPAC2-[2-[2-(furan-2-yl)ethylcarbamoylamino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)NCCc1ccco1
InChIInChI=1S/C11H16N2O5/c14-10(15)8-17-7-5-13-11(16)12-4-3-9-2-1-6-18-9/h1-2,6H,3-5,7-8H2,(H,14,15)(H2,12,13,16)
InChIKeyDJZAXXGURHUWAY-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.22
Rot. Bonds8

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

2-[2-[2-(furan-2-yl)ethylcarbamoylamino]ethoxy]acetic acid (PubChem CID 79463732) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-[2-[2-(furan-2-yl)ethylcarbamoylamino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(furan-2-yl)ethylcarbamoylamino]ethoxy]acetic acid
PubChem CID79463732
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name2-[2-[2-(furan-2-yl)ethylcarbamoylamino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)NCCc1ccco1
InChIInChI=1S/C11H16N2O5/c14-10(15)8-17-7-5-13-11(16)12-4-3-9-2-1-6-18-9/h1-2,6H,3-5,7-8H2,(H,14,15)(H2,12,13,16)
InChIKeyDJZAXXGURHUWAY-UHFFFAOYSA-N
XLogP0.22
TPSA100.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.22
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-[1-(furan-2-yl)ethylcarbamoylamino]ethoxy]acetic acid
CID 79464025
2-bromo-N-[2-(furan-2-yl)ethyl]acetamide
CID 63679731
2-[2-(3-phenylpropylcarbamoylamino)ethoxy]acetic acid
CID 79463144
2-[2-(2-pyridin-4-ylethylcarbamoylamino)ethoxy]acetic acid
CID 79464389
2-chloro-N-[2-(furan-2-yl)ethylcarbamoyl]acetamide
CID 61471395
2-[2-(furan-2-yl)ethylcarbamoylamino]propanoic acid
CID 61471341
4-[2-(furan-2-yl)ethylcarbamoylamino]-4-oxobut-2-enoic acid
CID 54954888
N-[2-(furan-2-yl)ethyl]-2-methylprop-2-enamide
CID 178173949
1-(furan-2-ylmethyl)-3-(2-phenoxyethyl)urea
CID 47125764
5-[2-(furan-2-yl)ethylcarbamoylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62933243
3-[2-(furan-2-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 114897735
1-(4-aminophenyl)-3-[2-(furan-2-yl)ethyl]urea
CID 54954990

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(furan-2-yl)ethylcarbamoylamino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[2-(furan-2-yl)ethylcarbamoylamino]ethoxy]acetic acid (CID 79463732) is 2-[2-[2-(furan-2-yl)ethylcarbamoylamino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-(furan-2-yl)ethylcarbamoylamino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-(furan-2-yl)ethylcarbamoylamino]ethoxy]acetic acid is O=C(O)COCCNC(=O)NCCc1ccco1.
What is the InChIKey of 2-[2-[2-(furan-2-yl)ethylcarbamoylamino]ethoxy]acetic acid?
The InChIKey is DJZAXXGURHUWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c14-10(15)8-17-7-5-13-11(16)12-4-3-9-2-1-6-18-9/h1-2,6H,3-5,7-8H2,(H,14,15)(H2,12,13,16).
What are the key properties of 2-[2-[2-(furan-2-yl)ethylcarbamoylamino]ethoxy]acetic acid?
2-[2-[2-(furan-2-yl)ethylcarbamoylamino]ethoxy]acetic acid has a molecular weight of 256.26 g/mol, XLogP of 0.22, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(furan-2-yl)ethylcarbamoylamino]ethoxy]acetic acid is sourced from PubChem (CID 79463732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).