3-[(2-methylfuran-3-carbonyl)-(oxan-4-yl)amino]propanoic acid

C14H19NO5 — CID 119212251

IUPAC3-[(2-methylfuran-3-carbonyl)-(oxan-4-yl)amino]propanoic acid
SMILESCc1occc1C(=O)N(CCC(=O)O)C1CCOCC1
InChIInChI=1S/C14H19NO5/c1-10-12(5-9-20-10)14(18)15(6-2-13(16)17)11-3-7-19-8-4-11/h5,9,11H,2-4,6-8H2,1H3,(H,16,17)
InChIKeyCEJZFUFGHSNTHE-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.68
Rot. Bonds5

About 3-[(2-methylfuran-3-carbonyl)-(oxan-4-yl)amino]propanoic acid

3-[(2-methylfuran-3-carbonyl)-(oxan-4-yl)amino]propanoic acid (PubChem CID 119212251) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-[(2-methylfuran-3-carbonyl)-(oxan-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(2-methylfuran-3-carbonyl)-(oxan-4-yl)amino]propanoic acid
PubChem CID119212251
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name3-[(2-methylfuran-3-carbonyl)-(oxan-4-yl)amino]propanoic acid
SMILESCc1occc1C(=O)N(CCC(=O)O)C1CCOCC1
InChIInChI=1S/C14H19NO5/c1-10-12(5-9-20-10)14(18)15(6-2-13(16)17)11-3-7-19-8-4-11/h5,9,11H,2-4,6-8H2,1H3,(H,16,17)
InChIKeyCEJZFUFGHSNTHE-UHFFFAOYSA-N
XLogP1.68
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methylfuran-3-carbonyl)-(oxan-4-yl)amino]acetic acid
CID 154740702
N-(2-chloroethyl)-N-cyclopentyl-2-methylfuran-3-carboxamide
CID 55187971
N-[3-(cyclohexylamino)-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide
CID 816497
3-[methyl-(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 60989961
N-[3-[[(2S)-butan-2-yl]amino]-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide
CID 7301981
N-cyclopentyl-2-methyl-N-(2-phenylethyl)furan-3-carboxamide
CID 52574458
3-[furo[3,2-c]pyridine-4-carbonyl(oxan-4-yl)amino]propanoic acid
CID 167765455
3-[(4-chlorobenzoyl)-(oxan-4-yl)amino]propanoic acid
CID 122146334
N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide
CID 4119534
3-[3-(4-methylphenyl)prop-2-enoyl-(oxan-4-yl)amino]propanoic acid
CID 126781002
3-[(4-ethoxybenzoyl)-(oxan-4-yl)amino]propanoic acid
CID 122146346
N-(4-aminocyclohexyl)-N-ethyl-2-methylfuran-3-carboxamide
CID 79115766

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylfuran-3-carbonyl)-(oxan-4-yl)amino]propanoic acid?
The IUPAC name of 3-[(2-methylfuran-3-carbonyl)-(oxan-4-yl)amino]propanoic acid (CID 119212251) is 3-[(2-methylfuran-3-carbonyl)-(oxan-4-yl)amino]propanoic acid.
What is the SMILES notation for 3-[(2-methylfuran-3-carbonyl)-(oxan-4-yl)amino]propanoic acid?
The canonical SMILES for 3-[(2-methylfuran-3-carbonyl)-(oxan-4-yl)amino]propanoic acid is Cc1occc1C(=O)N(CCC(=O)O)C1CCOCC1.
What is the InChIKey of 3-[(2-methylfuran-3-carbonyl)-(oxan-4-yl)amino]propanoic acid?
The InChIKey is CEJZFUFGHSNTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-10-12(5-9-20-10)14(18)15(6-2-13(16)17)11-3-7-19-8-4-11/h5,9,11H,2-4,6-8H2,1H3,(H,16,17).
What are the key properties of 3-[(2-methylfuran-3-carbonyl)-(oxan-4-yl)amino]propanoic acid?
3-[(2-methylfuran-3-carbonyl)-(oxan-4-yl)amino]propanoic acid has a molecular weight of 281.31 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylfuran-3-carbonyl)-(oxan-4-yl)amino]propanoic acid is sourced from PubChem (CID 119212251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).