4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoylamino]cyclohexane-1-carboxylic acid

C15H28N2O4 — CID 115942365

IUPAC4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoylamino]cyclohexane-1-carboxylic acid
SMILESCC1CCC(NC(=O)NCCOC(C)(C)C)(C(=O)O)CC1
InChIInChI=1S/C15H28N2O4/c1-11-5-7-15(8-6-11,12(18)19)17-13(20)16-9-10-21-14(2,3)4/h11H,5-10H2,1-4H3,(H,18,19)(H2,16,17,20)
InChIKeyVUTKKINQRDWTRM-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.13
Rot. Bonds5

About 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoylamino]cyclohexane-1-carboxylic acid

4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 115942365) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID115942365
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoylamino]cyclohexane-1-carboxylic acid
SMILESCC1CCC(NC(=O)NCCOC(C)(C)C)(C(=O)O)CC1
InChIInChI=1S/C15H28N2O4/c1-11-5-7-15(8-6-11,12(18)19)17-13(20)16-9-10-21-14(2,3)4/h11H,5-10H2,1-4H3,(H,18,19)(H2,16,17,20)
InChIKeyVUTKKINQRDWTRM-UHFFFAOYSA-N
XLogP2.13
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.13
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

1-(2-carbamoyloxyethylcarbamoylamino)-4-methylcyclohexane-1-carboxylic acid
CID 83204760
1-(3-ethoxypropylcarbamoylamino)-4-methylcyclohexane-1-carboxylic acid
CID 61190263
4-methyl-1-(2,3,3-trimethylbutylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 83142956
1-(3-ethylpentan-3-ylcarbamoylamino)-4-methylcyclohexane-1-carboxylic acid
CID 65042943
1-[(2-methoxy-2-methylpropanoyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 103018203
1-(2-cyclopentyloxyethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63832820
1-(cyclopentylcarbamoylamino)-4-methylcyclohexane-1-carboxylic acid
CID 16791650
1-(3-propoxypropylcarbamoylamino)cyclopropane-1-carboxylic acid
CID 82943619
4-methyl-1-(1,3-thiazol-4-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63823966
4-methyl-1-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 63303718
1-(5-methoxypentylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 114131676
1-(butanoylamino)-4-methylcyclohexane-1-carboxylic acid
CID 43163089

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoylamino]cyclohexane-1-carboxylic acid (CID 115942365) is 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoylamino]cyclohexane-1-carboxylic acid is CC1CCC(NC(=O)NCCOC(C)(C)C)(C(=O)O)CC1.
What is the InChIKey of 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is VUTKKINQRDWTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-11-5-7-15(8-6-11,12(18)19)17-13(20)16-9-10-21-14(2,3)4/h11H,5-10H2,1-4H3,(H,18,19)(H2,16,17,20).
What are the key properties of 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoylamino]cyclohexane-1-carboxylic acid?
4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 300.40 g/mol, XLogP of 2.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115942365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).