methyl 3-[(2,2-dimethylcyclopentanecarbonyl)-methylamino]-2-methylpropanoate

C14H25NO3 — CID 104919723

IUPACmethyl 3-[(2,2-dimethylcyclopentanecarbonyl)-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)C(=O)C1CCCC1(C)C
InChIInChI=1S/C14H25NO3/c1-10(13(17)18-5)9-15(4)12(16)11-7-6-8-14(11,2)3/h10-11H,6-9H2,1-5H3
InChIKeyOHWHNXJOPVSILA-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.08
Rot. Bonds4

About methyl 3-[(2,2-dimethylcyclopentanecarbonyl)-methylamino]-2-methylpropanoate

methyl 3-[(2,2-dimethylcyclopentanecarbonyl)-methylamino]-2-methylpropanoate (PubChem CID 104919723) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is methyl 3-[(2,2-dimethylcyclopentanecarbonyl)-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(2,2-dimethylcyclopentanecarbonyl)-methylamino]-2-methylpropanoate
PubChem CID104919723
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Namemethyl 3-[(2,2-dimethylcyclopentanecarbonyl)-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)C(=O)C1CCCC1(C)C
InChIInChI=1S/C14H25NO3/c1-10(13(17)18-5)9-15(4)12(16)11-7-6-8-14(11,2)3/h10-11H,6-9H2,1-5H3
InChIKeyOHWHNXJOPVSILA-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxypropyl)-N,2,2-trimethylcyclopentane-1-carboxamide
CID 104918373
N-(2-hydroxypropyl)-N,2,2-trimethylcyclohexane-1-carboxamide
CID 107180341
N-(2-hydroxy-3-methoxypropyl)-N,2,2-trimethylcyclohexane-1-carboxamide
CID 107180334
N-(3-hydroxybutyl)-N,2,2-trimethylcyclopentane-1-carboxamide
CID 104919962
N-(3-aminopropyl)-N,2,2-trimethylcyclopentane-1-carboxamide
CID 107174465
methyl 3-[(2,2-dimethylcyclohexanecarbonyl)-methylamino]propanoate
CID 107181232
methyl 2-methyl-3-[methyl(pyrrolidine-2-carbonyl)amino]propanoate
CID 60963906
methyl 3-[cyclobutyl(methyl)amino]-2-methylpropanoate
CID 115772286
methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]-methylamino]-2-methylpropanoate
CID 115448160
methyl 2-[(2,2-dimethylcyclopentanecarbonyl)-ethylamino]acetate
CID 104917407
methyl 2-methyl-3-[methyl-(2-methyloxolane-3-carbonyl)amino]propanoate
CID 79763237
3-[(2,2-dimethylcyclopropanecarbonyl)-methylamino]-2-methylpropanoic acid
CID 106703400

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,2-dimethylcyclopentanecarbonyl)-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[(2,2-dimethylcyclopentanecarbonyl)-methylamino]-2-methylpropanoate (CID 104919723) is methyl 3-[(2,2-dimethylcyclopentanecarbonyl)-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[(2,2-dimethylcyclopentanecarbonyl)-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[(2,2-dimethylcyclopentanecarbonyl)-methylamino]-2-methylpropanoate is COC(=O)C(C)CN(C)C(=O)C1CCCC1(C)C.
What is the InChIKey of methyl 3-[(2,2-dimethylcyclopentanecarbonyl)-methylamino]-2-methylpropanoate?
The InChIKey is OHWHNXJOPVSILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-10(13(17)18-5)9-15(4)12(16)11-7-6-8-14(11,2)3/h10-11H,6-9H2,1-5H3.
What are the key properties of methyl 3-[(2,2-dimethylcyclopentanecarbonyl)-methylamino]-2-methylpropanoate?
methyl 3-[(2,2-dimethylcyclopentanecarbonyl)-methylamino]-2-methylpropanoate has a molecular weight of 255.36 g/mol, XLogP of 2.08, 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-dimethylcyclopentanecarbonyl)-methylamino]-2-methylpropanoate is sourced from PubChem (CID 104919723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).