3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]propanoic acid

C13H20N2O4 — CID 61420879

IUPAC3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)N(CC)Cc1ccco1
InChIInChI=1S/C13H20N2O4/c1-3-14(8-7-12(16)17)13(18)15(4-2)10-11-6-5-9-19-11/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,16,17)
InChIKeyJVAUBQBTKUOQEQ-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.02
Rot. Bonds7

About 3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]propanoic acid

3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]propanoic acid (PubChem CID 61420879) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]propanoic acid
PubChem CID61420879
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)N(CC)Cc1ccco1
InChIInChI=1S/C13H20N2O4/c1-3-14(8-7-12(16)17)13(18)15(4-2)10-11-6-5-9-19-11/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,16,17)
InChIKeyJVAUBQBTKUOQEQ-UHFFFAOYSA-N
XLogP2.02
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[ethyl(furan-2-ylmethyl)carbamoyl]-methylamino]propanoic acid
CID 61420829
3-[furan-2-ylmethyl(pentanoyl)amino]propanoic acid
CID 82323491
1-ethyl-1-(furan-2-ylmethyl)-3,3-dimethylurea
CID 115581572
3-[ethyl-[3-(furan-2-yl)propanoyl]amino]propanoic acid
CID 61008139
3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62853925
2-[[ethyl(furan-2-ylmethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263712
3-[ethoxycarbonyl(furan-2-ylmethyl)amino]propanoic acid;ethyl 3-[ethoxycarbonyl(furan-2-ylmethyl)amino]propanoate
CID 162128156
3-[cyclopropanecarbonyl(furan-2-ylmethyl)amino]propanoic acid
CID 82323935
3-[ethylsulfonyl(furan-2-ylmethyl)amino]propanoic acid
CID 50894680
N-ethyl-N-(furan-2-ylmethyl)-2-hydroxy-2-methylpropanamide
CID 103429605
3-[ethyl-[1-(furan-2-yl)propan-2-yl]amino]propanoic acid
CID 65062809
3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
CID 65266487

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]propanoic acid (CID 61420879) is 3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]propanoic acid is CCN(CCC(=O)O)C(=O)N(CC)Cc1ccco1.
What is the InChIKey of 3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]propanoic acid?
The InChIKey is JVAUBQBTKUOQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-3-14(8-7-12(16)17)13(18)15(4-2)10-11-6-5-9-19-11/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,16,17).
What are the key properties of 3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]propanoic acid?
3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]propanoic acid has a molecular weight of 268.31 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 61420879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).