4-ethyl-1-(2-methylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid

C15H28N2O3 — CID 61186572

IUPAC4-ethyl-1-(2-methylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)NC(C)(C)CC)(C(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-5-11-7-9-15(10-8-11,12(18)19)17-13(20)16-14(3,4)6-2/h11H,5-10H2,1-4H3,(H,18,19)(H2,16,17,20)
InChIKeyNPHSWBRVMBOKLC-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.90
Rot. Bonds5

About 4-ethyl-1-(2-methylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid

4-ethyl-1-(2-methylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid (PubChem CID 61186572) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-ethyl-1-(2-methylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(2-methylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
PubChem CID61186572
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name4-ethyl-1-(2-methylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)NC(C)(C)CC)(C(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-5-11-7-9-15(10-8-11,12(18)19)17-13(20)16-14(3,4)6-2/h11H,5-10H2,1-4H3,(H,18,19)(H2,16,17,20)
InChIKeyNPHSWBRVMBOKLC-UHFFFAOYSA-N
XLogP2.90
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methylbutan-2-ylcarbamoylamino)oxane-4-carboxylic acid
CID 113280398
1-(carbamoylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 43163266
4-ethyl-1-[[2-methyl-2-(methylamino)propanoyl]amino]cyclohexane-1-carboxylic acid
CID 62845996
4-ethyl-1-(piperidin-4-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61403150
4-ethyl-1-(2-methylpropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 60710261
1-(3-ethylpentan-3-ylcarbamoylamino)-4-methylcyclohexane-1-carboxylic acid
CID 65042943
1-[2-(carbamoylamino)ethylcarbamoylamino]-4-ethylcyclohexane-1-carboxylic acid
CID 83113849
1-[2-(dimethylamino)ethylcarbamoylamino]-4-ethylcyclohexane-1-carboxylic acid
CID 61187593
4-ethyl-1-(4-methylpentan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61197269
1-[[cyclopropyl(ethyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid
CID 61195802
4-ethyl-1-(hexanoylamino)cyclohexane-1-carboxylic acid
CID 43341491
1-(cyclopropylmethylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 61001600

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(2-methylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-ethyl-1-(2-methylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid (CID 61186572) is 4-ethyl-1-(2-methylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(2-methylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(2-methylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid is CCC1CCC(NC(=O)NC(C)(C)CC)(C(=O)O)CC1.
What is the InChIKey of 4-ethyl-1-(2-methylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is NPHSWBRVMBOKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-11-7-9-15(10-8-11,12(18)19)17-13(20)16-14(3,4)6-2/h11H,5-10H2,1-4H3,(H,18,19)(H2,16,17,20).
What are the key properties of 4-ethyl-1-(2-methylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid?
4-ethyl-1-(2-methylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(2-methylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61186572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).