2-[1-(furan-2-yl)ethylcarbamoylamino]propanoic acid

C10H14N2O4 — CID 61199815

IUPAC2-[1-(furan-2-yl)ethylcarbamoylamino]propanoic acid
SMILESCC(NC(=O)NC(C)c1ccco1)C(=O)O
InChIInChI=1S/C10H14N2O4/c1-6(8-4-3-5-16-8)11-10(15)12-7(2)9(13)14/h3-7H,1-2H3,(H,13,14)(H2,11,12,15)
InChIKeyWACSSEUUAKDUHJ-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.11
Rot. Bonds4

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

2-[1-(furan-2-yl)ethylcarbamoylamino]propanoic acid (PubChem CID 61199815) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-[1-(furan-2-yl)ethylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-[1-(furan-2-yl)ethylcarbamoylamino]propanoic acid
PubChem CID61199815
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name2-[1-(furan-2-yl)ethylcarbamoylamino]propanoic acid
SMILESCC(NC(=O)NC(C)c1ccco1)C(=O)O
InChIInChI=1S/C10H14N2O4/c1-6(8-4-3-5-16-8)11-10(15)12-7(2)9(13)14/h3-7H,1-2H3,(H,13,14)(H2,11,12,15)
InChIKeyWACSSEUUAKDUHJ-UHFFFAOYSA-N
XLogP1.11
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(furan-2-yl)ethyl]-3-phenylurea
CID 51473393
1-[(1S)-1-(furan-2-yl)ethyl]-3-phenylurea
CID 51473392
N-[1-(furan-2-yl)ethyl]acetamide
CID 22460009
4-[1-(furan-2-yl)ethylcarbamoylamino]-2-methylbutanoic acid
CID 80540877
1-[1-(furan-2-yl)ethyl]-3-propylurea
CID 110748894
4-[1-(furan-2-yl)ethylcarbamoylamino]benzoic acid
CID 61199818
2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]propanoic acid
CID 54958457
2-(furan-2-ylmethylcarbamoylamino)propanoic acid
CID 4273789
3-[1-(furan-2-yl)ethylcarbamoylamino]-2,2-dimethylpropanoic acid
CID 115428423
(2S)-2-(furan-2-carbonylamino)propanoic acid
CID 792932
2,2-difluoro-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 103515903
(E)-4-[[(1S)-1-(furan-2-yl)ethyl]amino]-4-oxobut-2-enoic acid
CID 81408440

Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-yl)ethylcarbamoylamino]propanoic acid?
The IUPAC name of 2-[1-(furan-2-yl)ethylcarbamoylamino]propanoic acid (CID 61199815) is 2-[1-(furan-2-yl)ethylcarbamoylamino]propanoic acid.
What is the SMILES notation for 2-[1-(furan-2-yl)ethylcarbamoylamino]propanoic acid?
The canonical SMILES for 2-[1-(furan-2-yl)ethylcarbamoylamino]propanoic acid is CC(NC(=O)NC(C)c1ccco1)C(=O)O.
What is the InChIKey of 2-[1-(furan-2-yl)ethylcarbamoylamino]propanoic acid?
The InChIKey is WACSSEUUAKDUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-6(8-4-3-5-16-8)11-10(15)12-7(2)9(13)14/h3-7H,1-2H3,(H,13,14)(H2,11,12,15).
What are the key properties of 2-[1-(furan-2-yl)ethylcarbamoylamino]propanoic acid?
2-[1-(furan-2-yl)ethylcarbamoylamino]propanoic acid has a molecular weight of 226.23 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-2-yl)ethylcarbamoylamino]propanoic acid is sourced from PubChem (CID 61199815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).