3-[furan-2-carbonyl-[2-(2-hydroxyethoxy)ethyl]amino]-2-methylpropanoic acid

C13H19NO6 — CID 82324412

IUPAC3-[furan-2-carbonyl-[2-(2-hydroxyethoxy)ethyl]amino]-2-methylpropanoic acid
SMILESCC(CN(CCOCCO)C(=O)c1ccco1)C(=O)O
InChIInChI=1S/C13H19NO6/c1-10(13(17)18)9-14(4-7-19-8-5-15)12(16)11-3-2-6-20-11/h2-3,6,10,15H,4-5,7-9H2,1H3,(H,17,18)
InChIKeyJNWSUOPNBPMFBU-UHFFFAOYSA-N
MW285.30 g/mol
LogP0.45
Rot. Bonds9

About 3-[furan-2-carbonyl-[2-(2-hydroxyethoxy)ethyl]amino]-2-methylpropanoic acid

3-[furan-2-carbonyl-[2-(2-hydroxyethoxy)ethyl]amino]-2-methylpropanoic acid (PubChem CID 82324412) has the molecular formula C13H19NO6 and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-[furan-2-carbonyl-[2-(2-hydroxyethoxy)ethyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[furan-2-carbonyl-[2-(2-hydroxyethoxy)ethyl]amino]-2-methylpropanoic acid
PubChem CID82324412
Molecular FormulaC13H19NO6
Molecular Weight285.30 g/mol
Exact Mass285.12
IUPAC Name3-[furan-2-carbonyl-[2-(2-hydroxyethoxy)ethyl]amino]-2-methylpropanoic acid
SMILESCC(CN(CCOCCO)C(=O)c1ccco1)C(=O)O
InChIInChI=1S/C13H19NO6/c1-10(13(17)18)9-14(4-7-19-8-5-15)12(16)11-3-2-6-20-11/h2-3,6,10,15H,4-5,7-9H2,1H3,(H,17,18)
InChIKeyJNWSUOPNBPMFBU-UHFFFAOYSA-N
XLogP0.45
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 50.45
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-(2-hydroxyethoxy)ethyl-(pyridine-4-carbonyl)amino]-2-methylpropanoic acid
CID 82325556
3-[furan-2-carbonyl-[(4-methylphenyl)methyl]amino]-2-methylpropanoic acid
CID 82324405
(2R)-3-[cyclopropyl(furan-2-carbonyl)amino]-2-methylpropanoic acid
CID 95539585
N-ethyl-N-(2-hydroxyethyl)furan-2-carboxamide
CID 39237533
3-[4-fluoro-N-(furan-2-carbonyl)anilino]-2-methylpropanoic acid
CID 82321510
N-(3-hydroxypropyl)-N-propan-2-ylfuran-2-carboxamide
CID 61040244
2-[furan-2-carbonyl(hydroxymethyl)amino]acetic acid
CID 126504893
N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide
CID 15134402
N,N-dibenzylfuran-2-carboxamide
CID 762503
N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)furan-2-carboxamide
CID 62734384
N-(2-aminoethyl)-N-(2,2-difluoroethyl)furan-2-carboxamide
CID 107493246
3-[benzoyl(furan-2-ylmethyl)amino]-2-methylpropanoic acid
CID 82324557

Frequently Asked Questions

What is the IUPAC name of 3-[furan-2-carbonyl-[2-(2-hydroxyethoxy)ethyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[furan-2-carbonyl-[2-(2-hydroxyethoxy)ethyl]amino]-2-methylpropanoic acid (CID 82324412) is 3-[furan-2-carbonyl-[2-(2-hydroxyethoxy)ethyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[furan-2-carbonyl-[2-(2-hydroxyethoxy)ethyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[furan-2-carbonyl-[2-(2-hydroxyethoxy)ethyl]amino]-2-methylpropanoic acid is CC(CN(CCOCCO)C(=O)c1ccco1)C(=O)O.
What is the InChIKey of 3-[furan-2-carbonyl-[2-(2-hydroxyethoxy)ethyl]amino]-2-methylpropanoic acid?
The InChIKey is JNWSUOPNBPMFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO6/c1-10(13(17)18)9-14(4-7-19-8-5-15)12(16)11-3-2-6-20-11/h2-3,6,10,15H,4-5,7-9H2,1H3,(H,17,18).
What are the key properties of 3-[furan-2-carbonyl-[2-(2-hydroxyethoxy)ethyl]amino]-2-methylpropanoic acid?
3-[furan-2-carbonyl-[2-(2-hydroxyethoxy)ethyl]amino]-2-methylpropanoic acid has a molecular weight of 285.30 g/mol, XLogP of 0.45, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[furan-2-carbonyl-[2-(2-hydroxyethoxy)ethyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 82324412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).