1-(2-cyclopropylpropan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid

C14H24N2O3 — CID 114111630

IUPAC1-(2-cyclopropylpropan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESCC(C)(NC(=O)NC1(C(=O)O)CCCCC1)C1CC1
InChIInChI=1S/C14H24N2O3/c1-13(2,10-6-7-10)15-12(19)16-14(11(17)18)8-4-3-5-9-14/h10H,3-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyACWNTIMCJJOQEU-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.26
Rot. Bonds4

About 1-(2-cyclopropylpropan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid

1-(2-cyclopropylpropan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid (PubChem CID 114111630) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(2-cyclopropylpropan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyclopropylpropan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
PubChem CID114111630
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-(2-cyclopropylpropan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESCC(C)(NC(=O)NC1(C(=O)O)CCCCC1)C1CC1
InChIInChI=1S/C14H24N2O3/c1-13(2,10-6-7-10)15-12(19)16-14(11(17)18)8-4-3-5-9-14/h10H,3-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyACWNTIMCJJOQEU-UHFFFAOYSA-N
XLogP2.26
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(tert-butylcarbamoylamino)cyclopropane-1-carboxylic acid
CID 65452446
1-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 103463181
1-(2-cyclobutylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 113364347
1-(cyclooctylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61181425
1-(1-cyclopropylethylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 61198115
1-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 114943563
1-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106279269
1-(3-ethylpentan-3-ylcarbamoylamino)-4-methylcyclohexane-1-carboxylic acid
CID 65042943
1-[[2-methyl-2-(methylamino)propanoyl]amino]cycloheptane-1-carboxylic acid
CID 62846183
1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 106216317
1-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 103997635
1-(3-cyclohexylpropanoylamino)cyclopentane-1-carboxylic acid
CID 43329530

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylpropan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(2-cyclopropylpropan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid (CID 114111630) is 1-(2-cyclopropylpropan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(2-cyclopropylpropan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(2-cyclopropylpropan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid is CC(C)(NC(=O)NC1(C(=O)O)CCCCC1)C1CC1.
What is the InChIKey of 1-(2-cyclopropylpropan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is ACWNTIMCJJOQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-13(2,10-6-7-10)15-12(19)16-14(11(17)18)8-4-3-5-9-14/h10H,3-9H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 1-(2-cyclopropylpropan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid?
1-(2-cyclopropylpropan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylpropan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114111630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).