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

C14H19NO4 — CID 64671935

IUPAC2-[1-[(2-methylfuran-3-carbonyl)amino]cyclohexyl]acetic acid
SMILESCc1occc1C(=O)NC1(CC(=O)O)CCCCC1
InChIInChI=1S/C14H19NO4/c1-10-11(5-8-19-10)13(18)15-14(9-12(16)17)6-3-2-4-7-14/h5,8H,2-4,6-7,9H2,1H3,(H,15,18)(H,16,17)
InChIKeySDVVWJYBHPOVMQ-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.50
Rot. Bonds4

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

2-[1-[(2-methylfuran-3-carbonyl)amino]cyclohexyl]acetic acid (PubChem CID 64671935) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[1-[(2-methylfuran-3-carbonyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-methylfuran-3-carbonyl)amino]cyclohexyl]acetic acid
PubChem CID64671935
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[1-[(2-methylfuran-3-carbonyl)amino]cyclohexyl]acetic acid
SMILESCc1occc1C(=O)NC1(CC(=O)O)CCCCC1
InChIInChI=1S/C14H19NO4/c1-10-11(5-8-19-10)13(18)15-14(9-12(16)17)6-3-2-4-7-14/h5,8H,2-4,6-7,9H2,1H3,(H,15,18)(H,16,17)
InChIKeySDVVWJYBHPOVMQ-UHFFFAOYSA-N
XLogP2.50
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(4-methylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671347
2-[1-[(2-chloro-5-hydroxybenzoyl)amino]cyclopentyl]acetic acid
CID 106500317
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylfuran-3-carboxamide
CID 115362271
2-[1-[(2-hydroxy-5-methylbenzoyl)amino]cyclopentyl]acetic acid
CID 64672001
N-(1-carbamothioylcyclohexyl)-2-methylfuran-3-carboxamide
CID 61119738
N-[1-(2-amino-2-oxoethyl)cyclohexyl]-2-ethylfuran-3-carboxamide
CID 138022336
2-[1-(1,2-oxazole-3-carbonylamino)cyclohexyl]acetic acid
CID 64672317
N-(1-cyanocyclopentyl)-2-methylfuran-3-carboxamide
CID 60704628
2-[1-[(4-methylthiophene-3-carbonyl)amino]cyclobutyl]acetic acid
CID 79845790
2-[1-[(3-hydroxy-2-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 82826485
2-methyl-2-[(2-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120545136
2-[1-[(4-ethylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671366

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methylfuran-3-carbonyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(2-methylfuran-3-carbonyl)amino]cyclohexyl]acetic acid (CID 64671935) is 2-[1-[(2-methylfuran-3-carbonyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-methylfuran-3-carbonyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(2-methylfuran-3-carbonyl)amino]cyclohexyl]acetic acid is Cc1occc1C(=O)NC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[(2-methylfuran-3-carbonyl)amino]cyclohexyl]acetic acid?
The InChIKey is SDVVWJYBHPOVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10-11(5-8-19-10)13(18)15-14(9-12(16)17)6-3-2-4-7-14/h5,8H,2-4,6-7,9H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 2-[1-[(2-methylfuran-3-carbonyl)amino]cyclohexyl]acetic acid?
2-[1-[(2-methylfuran-3-carbonyl)amino]cyclohexyl]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methylfuran-3-carbonyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 64671935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).