methyl 3-[(2,2-dimethylcyclohexanecarbonyl)-methylamino]propanoate

C14H25NO3 — CID 107181232

IUPACmethyl 3-[(2,2-dimethylcyclohexanecarbonyl)-methylamino]propanoate
SMILESCOC(=O)CCN(C)C(=O)C1CCCCC1(C)C
InChIInChI=1S/C14H25NO3/c1-14(2)9-6-5-7-11(14)13(17)15(3)10-8-12(16)18-4/h11H,5-10H2,1-4H3
InChIKeyRNKMKDRWWYQJIY-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.22
Rot. Bonds4

About methyl 3-[(2,2-dimethylcyclohexanecarbonyl)-methylamino]propanoate

methyl 3-[(2,2-dimethylcyclohexanecarbonyl)-methylamino]propanoate (PubChem CID 107181232) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is methyl 3-[(2,2-dimethylcyclohexanecarbonyl)-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2,2-dimethylcyclohexanecarbonyl)-methylamino]propanoate
PubChem CID107181232
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Namemethyl 3-[(2,2-dimethylcyclohexanecarbonyl)-methylamino]propanoate
SMILESCOC(=O)CCN(C)C(=O)C1CCCCC1(C)C
InChIInChI=1S/C14H25NO3/c1-14(2)9-6-5-7-11(14)13(17)15(3)10-8-12(16)18-4/h11H,5-10H2,1-4H3
InChIKeyRNKMKDRWWYQJIY-UHFFFAOYSA-N
XLogP2.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,2,2-trimethyl-N-[3-(methylamino)propyl]cyclohexane-1-carboxamide
CID 107176010
N-(3-bromopropyl)-N,2,2-trimethylcyclohexane-1-carboxamide
CID 106441463
N,N,2,2-tetramethylcyclohexane-1-carboxamide
CID 107180263
N-(2-hydroxypropyl)-N,2,2-trimethylcyclohexane-1-carboxamide
CID 107180341
N-(3-aminopropyl)-N,2,2-trimethylcyclopentane-1-carboxamide
CID 107174465
N,2,2-trimethyl-N-(2-piperidin-4-ylethyl)cyclohexane-1-carboxamide
CID 107176802
N-(2-hydroxy-3-methoxypropyl)-N,2,2-trimethylcyclohexane-1-carboxamide
CID 107180334
N-(3-hydroxybutyl)-N,2,2-trimethylcyclopentane-1-carboxamide
CID 104919962
methyl 2-[(2,2-dimethylcyclopentanecarbonyl)-ethylamino]acetate
CID 104917407
methyl 3-[(2,2-dimethylcyclopentanecarbonyl)-methylamino]-2-methylpropanoate
CID 104919723
N-(2-hydroxypropyl)-N,2,2-trimethylcyclopentane-1-carboxamide
CID 104918373
methyl 3-[methyl-[(2R)-oxolane-2-carbonyl]amino]propanoate
CID 103852349

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,2-dimethylcyclohexanecarbonyl)-methylamino]propanoate?
The IUPAC name of methyl 3-[(2,2-dimethylcyclohexanecarbonyl)-methylamino]propanoate (CID 107181232) is methyl 3-[(2,2-dimethylcyclohexanecarbonyl)-methylamino]propanoate.
What is the SMILES notation for methyl 3-[(2,2-dimethylcyclohexanecarbonyl)-methylamino]propanoate?
The canonical SMILES for methyl 3-[(2,2-dimethylcyclohexanecarbonyl)-methylamino]propanoate is COC(=O)CCN(C)C(=O)C1CCCCC1(C)C.
What is the InChIKey of methyl 3-[(2,2-dimethylcyclohexanecarbonyl)-methylamino]propanoate?
The InChIKey is RNKMKDRWWYQJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-14(2)9-6-5-7-11(14)13(17)15(3)10-8-12(16)18-4/h11H,5-10H2,1-4H3.
What are the key properties of methyl 3-[(2,2-dimethylcyclohexanecarbonyl)-methylamino]propanoate?
methyl 3-[(2,2-dimethylcyclohexanecarbonyl)-methylamino]propanoate has a molecular weight of 255.36 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,2-dimethylcyclohexanecarbonyl)-methylamino]propanoate is sourced from PubChem (CID 107181232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).