3-[furan-2-ylmethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoic acid

C13H20N2O5 — CID 82327164

IUPAC3-[furan-2-ylmethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoic acid
SMILESCOCCNC(=O)CN(CCC(=O)O)Cc1ccco1
InChIInChI=1S/C13H20N2O5/c1-19-8-5-14-12(16)10-15(6-4-13(17)18)9-11-3-2-7-20-11/h2-3,7H,4-6,8-10H2,1H3,(H,14,16)(H,17,18)
InChIKeyLLKNTCBEXSXFNV-UHFFFAOYSA-N
MW284.31 g/mol
LogP0.32
Rot. Bonds10

About 3-[furan-2-ylmethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoic acid

3-[furan-2-ylmethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoic acid (PubChem CID 82327164) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-[furan-2-ylmethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[furan-2-ylmethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoic acid
PubChem CID82327164
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name3-[furan-2-ylmethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoic acid
SMILESCOCCNC(=O)CN(CCC(=O)O)Cc1ccco1
InChIInChI=1S/C13H20N2O5/c1-19-8-5-14-12(16)10-15(6-4-13(17)18)9-11-3-2-7-20-11/h2-3,7H,4-6,8-10H2,1H3,(H,14,16)(H,17,18)
InChIKeyLLKNTCBEXSXFNV-UHFFFAOYSA-N
XLogP0.32
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-hydroxyethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoic acid
CID 82327156
2-[benzyl(furan-2-ylmethyl)amino]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 18271937
2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(2-methoxyethyl)acetamide;hydrochloride
CID 66591030
3-[furan-2-ylmethyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid
CID 82326895
2-[bis(furan-2-ylmethyl)amino]-N-methylacetamide
CID 27118866
3-[ethylsulfonyl(furan-2-ylmethyl)amino]propanoic acid
CID 50894680
3-[furan-2-ylmethyl(pentanoyl)amino]propanoic acid
CID 82323491
2-[[furan-2-ylmethyl(methyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79270355
2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]-N-pentylacetamide
CID 78820887
3-[(3-bromo-4-methoxyphenyl)methyl-(furan-2-ylmethyl)amino]propanoic acid
CID 23996130
3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 61420879
N-[2-[furan-2-ylmethyl(2-methoxyethyl)amino]-2-oxoethyl]-2-phenylacetamide
CID 32992758

Frequently Asked Questions

What is the IUPAC name of 3-[furan-2-ylmethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 3-[furan-2-ylmethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoic acid (CID 82327164) is 3-[furan-2-ylmethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 3-[furan-2-ylmethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 3-[furan-2-ylmethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoic acid is COCCNC(=O)CN(CCC(=O)O)Cc1ccco1.
What is the InChIKey of 3-[furan-2-ylmethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoic acid?
The InChIKey is LLKNTCBEXSXFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-19-8-5-14-12(16)10-15(6-4-13(17)18)9-11-3-2-7-20-11/h2-3,7H,4-6,8-10H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 3-[furan-2-ylmethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoic acid?
3-[furan-2-ylmethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoic acid has a molecular weight of 284.31 g/mol, XLogP of 0.32, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[furan-2-ylmethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 82327164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).