methyl 4-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoate

C15H27NO3 — CID 79005645

IUPACmethyl 4-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)C1CCC(C)CC1
InChIInChI=1S/C15H27NO3/c1-10(2)9-13(15(18)19-4)16-14(17)12-7-5-11(3)6-8-12/h10-13H,5-9H2,1-4H3,(H,16,17)
InChIKeyHMZAHKMDGSCUMU-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.52
Rot. Bonds5

About methyl 4-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoate

methyl 4-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoate (PubChem CID 79005645) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is methyl 4-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoate
PubChem CID79005645
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Namemethyl 4-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)C1CCC(C)CC1
InChIInChI=1S/C15H27NO3/c1-10(2)9-13(15(18)19-4)16-14(17)12-7-5-11(3)6-8-12/h10-13H,5-9H2,1-4H3,(H,16,17)
InChIKeyHMZAHKMDGSCUMU-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-methyl-2-[(2-methylcyclopropanecarbonyl)amino]pentanoate
CID 43404380
methyl 4-methyl-2-(piperidine-3-carbonylamino)pentanoate
CID 43704259
(4-nitrophenyl)methyl (2S)-4-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoate
CID 7316767
N-[(2S)-4-methyl-1-[(4-methylcyclohexyl)amino]-1-oxopentan-2-yl]cyclohexanecarboxamide
CID 40516545
N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclopropanecarboxamide
CID 60776170
methyl (2S)-2-[[(3S,4S)-4-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-3-carbonyl]amino]-4-methylpentanoate
CID 135210896
4-methyl-N-[(2S)-4-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]pentan-2-yl]cyclohexane-1-carboxamide
CID 7064725
methyl (2R)-4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]pentanoate
CID 51681555
methyl 4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]pentanoate
CID 103849887
methyl (2S)-4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]pentanoate
CID 51681554
(2R,5S)-5-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102944697
(2R)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-methylpentanoic acid
CID 79527272

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoate (CID 79005645) is methyl 4-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoate is COC(=O)C(CC(C)C)NC(=O)C1CCC(C)CC1.
What is the InChIKey of methyl 4-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoate?
The InChIKey is HMZAHKMDGSCUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-10(2)9-13(15(18)19-4)16-14(17)12-7-5-11(3)6-8-12/h10-13H,5-9H2,1-4H3,(H,16,17).
What are the key properties of methyl 4-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoate?
methyl 4-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoate has a molecular weight of 269.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoate is sourced from PubChem (CID 79005645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).