4-[[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid

C15H22N2O4 — CID 61199226

IUPAC4-[[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1ccc(CN(C)C(=O)NC2CCC(C(=O)O)CC2)o1
InChIInChI=1S/C15H22N2O4/c1-10-3-8-13(21-10)9-17(2)15(20)16-12-6-4-11(5-7-12)14(18)19/h3,8,11-12H,4-7,9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyRGUQLEFLSKEGEK-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.37
Rot. Bonds4

About 4-[[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid

4-[[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 61199226) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-[[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID61199226
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name4-[[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1ccc(CN(C)C(=O)NC2CCC(C(=O)O)CC2)o1
InChIInChI=1S/C15H22N2O4/c1-10-3-8-13(21-10)9-17(2)15(20)16-12-6-4-11(5-7-12)14(18)19/h3,8,11-12H,4-7,9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyRGUQLEFLSKEGEK-UHFFFAOYSA-N
XLogP2.37
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-hydroxyethyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024097
4-[[methyl-[(5-methylthiophen-2-yl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024864
3-amino-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea
CID 115192836
1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-[(2R,3S)-1-methyl-2-phenylpyrrolidin-3-yl]urea
CID 124627279
(2R,5S)-5-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 102944233
4-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025212
(2S)-2-[[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]propanoic acid
CID 78967844
1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 61197519
4-[[(4-chloro-3-fluorophenyl)methyl-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122023644
3-[cyclopropyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]propanoic acid
CID 61199412
cis-(1R,3S)-3-[[(4-bromophenyl)methyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319397
4-[[1-benzothiophen-3-ylmethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025091

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid (CID 61199226) is 4-[[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid is Cc1ccc(CN(C)C(=O)NC2CCC(C(=O)O)CC2)o1.
What is the InChIKey of 4-[[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is RGUQLEFLSKEGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-10-3-8-13(21-10)9-17(2)15(20)16-12-6-4-11(5-7-12)14(18)19/h3,8,11-12H,4-7,9H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 4-[[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid?
4-[[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61199226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).