3-[2-methoxyethyl-(2-methylfuran-3-carbonyl)amino]propanoic acid

C12H17NO5 — CID 5103103

IUPAC3-[2-methoxyethyl-(2-methylfuran-3-carbonyl)amino]propanoic acid
SMILESCOCCN(CCC(=O)O)C(=O)c1ccoc1C
InChIInChI=1S/C12H17NO5/c1-9-10(4-7-18-9)12(16)13(6-8-17-2)5-3-11(14)15/h4,7H,3,5-6,8H2,1-2H3,(H,14,15)
InChIKeyBAVNGSPJCXHZIN-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.15
Rot. Bonds7

About 3-[2-methoxyethyl-(2-methylfuran-3-carbonyl)amino]propanoic acid

3-[2-methoxyethyl-(2-methylfuran-3-carbonyl)amino]propanoic acid (PubChem CID 5103103) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is 3-[2-methoxyethyl-(2-methylfuran-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-methoxyethyl-(2-methylfuran-3-carbonyl)amino]propanoic acid
PubChem CID5103103
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Name3-[2-methoxyethyl-(2-methylfuran-3-carbonyl)amino]propanoic acid
SMILESCOCCN(CCC(=O)O)C(=O)c1ccoc1C
InChIInChI=1S/C12H17NO5/c1-9-10(4-7-18-9)12(16)13(6-8-17-2)5-3-11(14)15/h4,7H,3,5-6,8H2,1-2H3,(H,14,15)
InChIKeyBAVNGSPJCXHZIN-UHFFFAOYSA-N
XLogP1.15
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(tert-butylamino)-3-oxopropyl]-N-(2-methoxyethyl)-2-methylfuran-3-carboxamide
CID 3673721
N-[3-(2-methoxyethylamino)-3-oxopropyl]-2-methyl-N-propylfuran-3-carboxamide
CID 42779802
N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-N-(2-methoxyethyl)-2-methylfuran-3-carboxamide
CID 42779884
N-(2-methoxyethyl)-2-methyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]furan-3-carboxamide
CID 42779908
3-[methyl-(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 60989961
methyl 3-[2-methoxyethyl-(3-methylfuran-2-carbonyl)amino]propanoate
CID 78959326
N-(2-methoxyethyl)-2-methyl-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]furan-3-carboxamide
CID 42779894
4-[(2-methylfuran-3-carbonyl)amino]butanoic acid
CID 16777160
N-[3-(hexylamino)-3-oxopropyl]-2-methyl-N-propylfuran-3-carboxamide
CID 42779801
N-[3-(benzylamino)-3-oxopropyl]-N-ethyl-2-methylfuran-3-carboxamide
CID 5127775
3-[(2-methylfuran-3-carbonyl)-(oxan-4-yl)amino]propanoic acid
CID 119212251
N-benzyl-N-[3-(ethoxyamino)-3-oxopropyl]-2-methylfuran-3-carboxamide
CID 5124108

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl-(2-methylfuran-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[2-methoxyethyl-(2-methylfuran-3-carbonyl)amino]propanoic acid (CID 5103103) is 3-[2-methoxyethyl-(2-methylfuran-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[2-methoxyethyl-(2-methylfuran-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[2-methoxyethyl-(2-methylfuran-3-carbonyl)amino]propanoic acid is COCCN(CCC(=O)O)C(=O)c1ccoc1C.
What is the InChIKey of 3-[2-methoxyethyl-(2-methylfuran-3-carbonyl)amino]propanoic acid?
The InChIKey is BAVNGSPJCXHZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5/c1-9-10(4-7-18-9)12(16)13(6-8-17-2)5-3-11(14)15/h4,7H,3,5-6,8H2,1-2H3,(H,14,15).
What are the key properties of 3-[2-methoxyethyl-(2-methylfuran-3-carbonyl)amino]propanoic acid?
3-[2-methoxyethyl-(2-methylfuran-3-carbonyl)amino]propanoic acid has a molecular weight of 255.27 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl-(2-methylfuran-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 5103103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).