2-[2-(2-methylpropanoylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid

C14H24N2O4 — CID 60934525

IUPAC2-[2-(2-methylpropanoylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(C)C(=O)NCCNC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C14H24N2O4/c1-9(2)12(17)15-7-8-16-13(18)10-5-3-4-6-11(10)14(19)20/h9-11H,3-8H2,1-2H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyYYTNRCHJWCDTJC-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.77
Rot. Bonds6

About 2-[2-(2-methylpropanoylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid

2-[2-(2-methylpropanoylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 60934525) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[2-(2-methylpropanoylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-methylpropanoylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID60934525
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2-[2-(2-methylpropanoylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(C)C(=O)NCCNC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C14H24N2O4/c1-9(2)12(17)15-7-8-16-13(18)10-5-3-4-6-11(10)14(19)20/h9-11H,3-8H2,1-2H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyYYTNRCHJWCDTJC-UHFFFAOYSA-N
XLogP0.77
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

cis-(1S,2R)-2-(2-acetamidoethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 42302869
2-(2-methylpropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 3133162
2-[2-(methanesulfonamido)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 43546075
trans-(1S,2S)-2-(3-propan-2-yloxypropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 7316355
2-[3-(methylamino)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 61403958
2-(decylcarbamoyl)cyclohexane-1-carboxylic acid
CID 5139462
2-(2-cyclobutylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 115752919
2-[[(2R)-2-hydroxypropyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 107214739
cis-(1R,2S)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 724026
cis-(1S,2R)-2-(4-aminobutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 93367078
cis-(1S,2R)-2-(2-cyanoethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 93317766
2-[2-(methylsulfamoyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106334704

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpropanoylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[2-(2-methylpropanoylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid (CID 60934525) is 2-[2-(2-methylpropanoylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(2-methylpropanoylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[2-(2-methylpropanoylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid is CC(C)C(=O)NCCNC(=O)C1CCCCC1C(=O)O.
What is the InChIKey of 2-[2-(2-methylpropanoylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is YYTNRCHJWCDTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-9(2)12(17)15-7-8-16-13(18)10-5-3-4-6-11(10)14(19)20/h9-11H,3-8H2,1-2H3,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 2-[2-(2-methylpropanoylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
2-[2-(2-methylpropanoylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 0.77, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpropanoylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60934525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).