2-[2-(furan-2-yl)ethylcarbamoylamino]propanoic acid

C10H14N2O4 — CID 61471341

IUPAC2-[2-(furan-2-yl)ethylcarbamoylamino]propanoic acid
SMILESCC(NC(=O)NCCc1ccco1)C(=O)O
InChIInChI=1S/C10H14N2O4/c1-7(9(13)14)12-10(15)11-5-4-8-3-2-6-16-8/h2-3,6-7H,4-5H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeyOUBKGNMYNFOGGZ-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.59
Rot. Bonds5

About 2-[2-(furan-2-yl)ethylcarbamoylamino]propanoic acid

2-[2-(furan-2-yl)ethylcarbamoylamino]propanoic acid (PubChem CID 61471341) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)ethylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-[2-(furan-2-yl)ethylcarbamoylamino]propanoic acid
PubChem CID61471341
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name2-[2-(furan-2-yl)ethylcarbamoylamino]propanoic acid
SMILESCC(NC(=O)NCCc1ccco1)C(=O)O
InChIInChI=1S/C10H14N2O4/c1-7(9(13)14)12-10(15)11-5-4-8-3-2-6-16-8/h2-3,6-7H,4-5H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeyOUBKGNMYNFOGGZ-UHFFFAOYSA-N
XLogP0.59
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(furan-2-ylmethylcarbamoylamino)propanoic acid
CID 4273789
3-[2-(furan-2-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 114897735
(2S)-2-amino-N-[2-(furan-2-yl)ethyl]propanamide
CID 61147120
(2S)-4-amino-2-[2-(furan-2-yl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 63716616
5-[2-(furan-2-yl)ethylamino]-3-methyl-5-oxopentanoic acid
CID 55155984
1-[2-(furan-2-yl)ethyl]-3-[(R)-phenyl(pyridin-4-yl)methyl]urea
CID 95312794
N-[2-(furan-2-yl)ethyl]-4-hydroxypentanamide
CID 79201221
1-ethyl-3-[4-(furan-2-yl)butan-2-yl]urea
CID 115571916
(2S)-2-[2-[[(1R)-1-carboxyethyl]carbamoylamino]ethylcarbamoylamino]propanoic acid
CID 11966085
2-chloro-N-[2-(furan-2-yl)ethylcarbamoyl]acetamide
CID 61471395
2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanoic acid
CID 3657012
methyl 2-(furan-2-ylmethylcarbamoylamino)propanoate
CID 4265713

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)ethylcarbamoylamino]propanoic acid?
The IUPAC name of 2-[2-(furan-2-yl)ethylcarbamoylamino]propanoic acid (CID 61471341) is 2-[2-(furan-2-yl)ethylcarbamoylamino]propanoic acid.
What is the SMILES notation for 2-[2-(furan-2-yl)ethylcarbamoylamino]propanoic acid?
The canonical SMILES for 2-[2-(furan-2-yl)ethylcarbamoylamino]propanoic acid is CC(NC(=O)NCCc1ccco1)C(=O)O.
What is the InChIKey of 2-[2-(furan-2-yl)ethylcarbamoylamino]propanoic acid?
The InChIKey is OUBKGNMYNFOGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-7(9(13)14)12-10(15)11-5-4-8-3-2-6-16-8/h2-3,6-7H,4-5H2,1H3,(H,13,14)(H2,11,12,15).
What are the key properties of 2-[2-(furan-2-yl)ethylcarbamoylamino]propanoic acid?
2-[2-(furan-2-yl)ethylcarbamoylamino]propanoic acid has a molecular weight of 226.23 g/mol, XLogP of 0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)ethylcarbamoylamino]propanoic acid is sourced from PubChem (CID 61471341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).