methyl 2-methyl-2-[(1-methylcyclohexanecarbonyl)amino]pentanoate

C15H27NO3 — CID 106828159

IUPACmethyl 2-methyl-2-[(1-methylcyclohexanecarbonyl)amino]pentanoate
SMILESCCCC(C)(NC(=O)C1(C)CCCCC1)C(=O)OC
InChIInChI=1S/C15H27NO3/c1-5-9-15(3,13(18)19-4)16-12(17)14(2)10-7-6-8-11-14/h5-11H2,1-4H3,(H,16,17)
InChIKeyADPGSXONAIFPPM-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.80
Rot. Bonds5

About methyl 2-methyl-2-[(1-methylcyclohexanecarbonyl)amino]pentanoate

methyl 2-methyl-2-[(1-methylcyclohexanecarbonyl)amino]pentanoate (PubChem CID 106828159) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is methyl 2-methyl-2-[(1-methylcyclohexanecarbonyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[(1-methylcyclohexanecarbonyl)amino]pentanoate
PubChem CID106828159
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Namemethyl 2-methyl-2-[(1-methylcyclohexanecarbonyl)amino]pentanoate
SMILESCCCC(C)(NC(=O)C1(C)CCCCC1)C(=O)OC
InChIInChI=1S/C15H27NO3/c1-5-9-15(3,13(18)19-4)16-12(17)14(2)10-7-6-8-11-14/h5-11H2,1-4H3,(H,16,17)
InChIKeyADPGSXONAIFPPM-UHFFFAOYSA-N
XLogP2.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[(1-methylcyclohexanecarbonyl)amino]pentanoate?
The IUPAC name of methyl 2-methyl-2-[(1-methylcyclohexanecarbonyl)amino]pentanoate (CID 106828159) is methyl 2-methyl-2-[(1-methylcyclohexanecarbonyl)amino]pentanoate.
What is the SMILES notation for methyl 2-methyl-2-[(1-methylcyclohexanecarbonyl)amino]pentanoate?
The canonical SMILES for methyl 2-methyl-2-[(1-methylcyclohexanecarbonyl)amino]pentanoate is CCCC(C)(NC(=O)C1(C)CCCCC1)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-[(1-methylcyclohexanecarbonyl)amino]pentanoate?
The InChIKey is ADPGSXONAIFPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-5-9-15(3,13(18)19-4)16-12(17)14(2)10-7-6-8-11-14/h5-11H2,1-4H3,(H,16,17).
What are the key properties of methyl 2-methyl-2-[(1-methylcyclohexanecarbonyl)amino]pentanoate?
methyl 2-methyl-2-[(1-methylcyclohexanecarbonyl)amino]pentanoate has a molecular weight of 269.38 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[(1-methylcyclohexanecarbonyl)amino]pentanoate is sourced from PubChem (CID 106828159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).