2-[1-[(2,4,5-trimethylfuran-3-carbonyl)amino]cyclopentyl]acetic acid

C15H21NO4 — CID 64672770

IUPAC2-[1-[(2,4,5-trimethylfuran-3-carbonyl)amino]cyclopentyl]acetic acid
SMILESCc1oc(C)c(C(=O)NC2(CC(=O)O)CCCC2)c1C
InChIInChI=1S/C15H21NO4/c1-9-10(2)20-11(3)13(9)14(19)16-15(8-12(17)18)6-4-5-7-15/h4-8H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyDJJSNASYLVEQCY-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.72
Rot. Bonds4

About 2-[1-[(2,4,5-trimethylfuran-3-carbonyl)amino]cyclopentyl]acetic acid

2-[1-[(2,4,5-trimethylfuran-3-carbonyl)amino]cyclopentyl]acetic acid (PubChem CID 64672770) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[1-[(2,4,5-trimethylfuran-3-carbonyl)amino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2,4,5-trimethylfuran-3-carbonyl)amino]cyclopentyl]acetic acid
PubChem CID64672770
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-[1-[(2,4,5-trimethylfuran-3-carbonyl)amino]cyclopentyl]acetic acid
SMILESCc1oc(C)c(C(=O)NC2(CC(=O)O)CCCC2)c1C
InChIInChI=1S/C15H21NO4/c1-9-10(2)20-11(3)13(9)14(19)16-15(8-12(17)18)6-4-5-7-15/h4-8H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyDJJSNASYLVEQCY-UHFFFAOYSA-N
XLogP2.72
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(2-methylfuran-3-carbonyl)amino]cyclohexyl]acetic acid
CID 64671935
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,4,5-trimethylfuran-3-carboxamide
CID 80712282
2-[1-[(4-methylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671347
2-[1-[(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)amino]cyclohexyl]acetic acid
CID 131940441
2-[1-[(4-ethylbenzoyl)amino]cyclopentyl]acetic acid
CID 64673374
2-[1-[(4-ethylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671366
1-[[(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312008
2-[1-[(4,5-diethylfuran-2-carbonyl)amino]cyclobutyl]acetic acid
CID 120686844
2-[1-[(3-hydroxy-2-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 82826485
2-[1-[(2-fluoro-6-hydroxybenzoyl)amino]cyclohexyl]acetic acid
CID 107013634
2-[1-[(7-methyl-1-benzofuran-2-carbonyl)amino]cyclobutyl]acetic acid
CID 119217742
2-[1-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 65433607

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,4,5-trimethylfuran-3-carbonyl)amino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(2,4,5-trimethylfuran-3-carbonyl)amino]cyclopentyl]acetic acid (CID 64672770) is 2-[1-[(2,4,5-trimethylfuran-3-carbonyl)amino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(2,4,5-trimethylfuran-3-carbonyl)amino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(2,4,5-trimethylfuran-3-carbonyl)amino]cyclopentyl]acetic acid is Cc1oc(C)c(C(=O)NC2(CC(=O)O)CCCC2)c1C.
What is the InChIKey of 2-[1-[(2,4,5-trimethylfuran-3-carbonyl)amino]cyclopentyl]acetic acid?
The InChIKey is DJJSNASYLVEQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-9-10(2)20-11(3)13(9)14(19)16-15(8-12(17)18)6-4-5-7-15/h4-8H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 2-[1-[(2,4,5-trimethylfuran-3-carbonyl)amino]cyclopentyl]acetic acid?
2-[1-[(2,4,5-trimethylfuran-3-carbonyl)amino]cyclopentyl]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,4,5-trimethylfuran-3-carbonyl)amino]cyclopentyl]acetic acid is sourced from PubChem (CID 64672770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).