2-[1-[[(5-methylfuran-3-carbonyl)amino]methyl]cyclohexyl]acetic acid

C15H21NO4 — CID 114818940

IUPAC2-[1-[[(5-methylfuran-3-carbonyl)amino]methyl]cyclohexyl]acetic acid
SMILESCc1cc(C(=O)NCC2(CC(=O)O)CCCCC2)co1
InChIInChI=1S/C15H21NO4/c1-11-7-12(9-20-11)14(19)16-10-15(8-13(17)18)5-3-2-4-6-15/h7,9H,2-6,8,10H2,1H3,(H,16,19)(H,17,18)
InChIKeyAKFKRDDFJVTGTM-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.74
Rot. Bonds5

About 2-[1-[[(5-methylfuran-3-carbonyl)amino]methyl]cyclohexyl]acetic acid

2-[1-[[(5-methylfuran-3-carbonyl)amino]methyl]cyclohexyl]acetic acid (PubChem CID 114818940) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[1-[[(5-methylfuran-3-carbonyl)amino]methyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(5-methylfuran-3-carbonyl)amino]methyl]cyclohexyl]acetic acid
PubChem CID114818940
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-[1-[[(5-methylfuran-3-carbonyl)amino]methyl]cyclohexyl]acetic acid
SMILESCc1cc(C(=O)NCC2(CC(=O)O)CCCCC2)co1
InChIInChI=1S/C15H21NO4/c1-11-7-12(9-20-11)14(19)16-10-15(8-13(17)18)5-3-2-4-6-15/h7,9H,2-6,8,10H2,1H3,(H,16,19)(H,17,18)
InChIKeyAKFKRDDFJVTGTM-UHFFFAOYSA-N
XLogP2.74
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(5-methylfuran-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 114819162
2-[1-[[(5-fluoropyridine-3-carbonyl)amino]methyl]cyclohexyl]acetic acid
CID 104785541
2-[1-[[(1-methylcyclopentyl)carbamoylamino]methyl]cyclohexyl]acetic acid
CID 64686653
2-[1-[[(5-bromopyridine-3-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81163589
2-[1-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 81164326
5-[(1-ethylcyclobutyl)methylcarbamoyl]furan-3-carboxylic acid
CID 104623369
2-[1-[[(4-chloro-1-methylpyrrole-2-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81163722
5-methyl-N-[3-(methylamino)propyl]furan-3-carboxamide
CID 114819329
2-[1-[[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]methyl]cyclobutyl]acetic acid
CID 81164343
2-[1-[(1-benzofuran-3-carbonylamino)methyl]cyclobutyl]acetic acid
CID 81165190
2-[1-[[(2,5-dibromothiophene-3-carbonyl)amino]methyl]cyclohexyl]acetic acid
CID 103932825
2-[1-[[(2-sulfanylacetyl)amino]methyl]cyclohexyl]acetic acid
CID 90392290

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(5-methylfuran-3-carbonyl)amino]methyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[[(5-methylfuran-3-carbonyl)amino]methyl]cyclohexyl]acetic acid (CID 114818940) is 2-[1-[[(5-methylfuran-3-carbonyl)amino]methyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[[(5-methylfuran-3-carbonyl)amino]methyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[[(5-methylfuran-3-carbonyl)amino]methyl]cyclohexyl]acetic acid is Cc1cc(C(=O)NCC2(CC(=O)O)CCCCC2)co1.
What is the InChIKey of 2-[1-[[(5-methylfuran-3-carbonyl)amino]methyl]cyclohexyl]acetic acid?
The InChIKey is AKFKRDDFJVTGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-11-7-12(9-20-11)14(19)16-10-15(8-13(17)18)5-3-2-4-6-15/h7,9H,2-6,8,10H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 2-[1-[[(5-methylfuran-3-carbonyl)amino]methyl]cyclohexyl]acetic acid?
2-[1-[[(5-methylfuran-3-carbonyl)amino]methyl]cyclohexyl]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(5-methylfuran-3-carbonyl)amino]methyl]cyclohexyl]acetic acid is sourced from PubChem (CID 114818940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).