4-methyl-1-(pent-4-en-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid

C14H24N2O3 — CID 113363979

IUPAC4-methyl-1-(pent-4-en-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESC=CCC(C)NC(=O)NC1(C(=O)O)CCC(C)CC1
InChIInChI=1S/C14H24N2O3/c1-4-5-11(3)15-13(19)16-14(12(17)18)8-6-10(2)7-9-14/h4,10-11H,1,5-9H2,2-3H3,(H,17,18)(H2,15,16,19)
InChIKeyAWZYNAUUYYUSNF-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.28
Rot. Bonds5

About 4-methyl-1-(pent-4-en-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid

4-methyl-1-(pent-4-en-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid (PubChem CID 113363979) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-methyl-1-(pent-4-en-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(pent-4-en-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
PubChem CID113363979
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name4-methyl-1-(pent-4-en-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESC=CCC(C)NC(=O)NC1(C(=O)O)CCC(C)CC1
InChIInChI=1S/C14H24N2O3/c1-4-5-11(3)15-13(19)16-14(12(17)18)8-6-10(2)7-9-14/h4,10-11H,1,5-9H2,2-3H3,(H,17,18)(H2,15,16,19)
InChIKeyAWZYNAUUYYUSNF-UHFFFAOYSA-N
XLogP2.28
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-4-methylcyclohexane-1-carboxylic acid
CID 61202421
4-methyl-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 61465603
4-methyl-1-(2,3,3-trimethylbutylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 83142956
4-methyl-1-(3-methylbutanoylamino)cyclohexane-1-carboxylic acid
CID 43163143
4-ethyl-1-(4-methylpentan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61197269
1-(hex-1-yn-3-ylcarbamoylamino)-4-methylcyclohexane-1-carboxylic acid
CID 106232503
4-methyl-1-[[2-methyl-3-(methylamino)propanoyl]amino]cyclohexane-1-carboxylic acid
CID 79202744
1-(3-ethylpentan-3-ylcarbamoylamino)-4-methylcyclohexane-1-carboxylic acid
CID 65042943
1-[[2-(butan-2-ylamino)acetyl]amino]-4-methylcyclohexane-1-carboxylic acid
CID 61161182
1-(cyclopentylcarbamoylamino)-4-methylcyclohexane-1-carboxylic acid
CID 16791650
1-(2-methoxypropanoylamino)-4-methylcyclohexane-1-carboxylic acid
CID 115910033
1-(hexan-2-ylcarbamoylamino)-3-methylcyclohexane-1-carboxylic acid
CID 62199336

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(pent-4-en-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-methyl-1-(pent-4-en-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid (CID 113363979) is 4-methyl-1-(pent-4-en-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(pent-4-en-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methyl-1-(pent-4-en-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid is C=CCC(C)NC(=O)NC1(C(=O)O)CCC(C)CC1.
What is the InChIKey of 4-methyl-1-(pent-4-en-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is AWZYNAUUYYUSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-4-5-11(3)15-13(19)16-14(12(17)18)8-6-10(2)7-9-14/h4,10-11H,1,5-9H2,2-3H3,(H,17,18)(H2,15,16,19).
What are the key properties of 4-methyl-1-(pent-4-en-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid?
4-methyl-1-(pent-4-en-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(pent-4-en-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 113363979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).