methyl 2-[(2,2-dimethylcyclopentanecarbonyl)-ethylamino]acetate

C13H23NO3 — CID 104917407

IUPACmethyl 2-[(2,2-dimethylcyclopentanecarbonyl)-ethylamino]acetate
SMILESCCN(CC(=O)OC)C(=O)C1CCCC1(C)C
InChIInChI=1S/C13H23NO3/c1-5-14(9-11(15)17-4)12(16)10-7-6-8-13(10,2)3/h10H,5-9H2,1-4H3
InChIKeyPFLBAGXYDPJBGR-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.83
Rot. Bonds4

About methyl 2-[(2,2-dimethylcyclopentanecarbonyl)-ethylamino]acetate

methyl 2-[(2,2-dimethylcyclopentanecarbonyl)-ethylamino]acetate (PubChem CID 104917407) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is methyl 2-[(2,2-dimethylcyclopentanecarbonyl)-ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2,2-dimethylcyclopentanecarbonyl)-ethylamino]acetate
PubChem CID104917407
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Namemethyl 2-[(2,2-dimethylcyclopentanecarbonyl)-ethylamino]acetate
SMILESCCN(CC(=O)OC)C(=O)C1CCCC1(C)C
InChIInChI=1S/C13H23NO3/c1-5-14(9-11(15)17-4)12(16)10-7-6-8-13(10,2)3/h10H,5-9H2,1-4H3
InChIKeyPFLBAGXYDPJBGR-UHFFFAOYSA-N
XLogP1.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(2,2-dimethylcyclohexanecarbonyl)-methylamino]propanoate
CID 107181232
N-(3-chloropropyl)-N-ethyl-2,2-dimethylcyclohexane-1-carboxamide
CID 107184321
N-(cyanomethyl)-2,2-dimethyl-N-propylcyclopentane-1-carboxamide
CID 104917287
methyl 3-[(2,2-dimethylcyclopentanecarbonyl)-methylamino]-2-methylpropanoate
CID 104919723
N,N,2,2-tetramethylcyclohexane-1-carboxamide
CID 107180263
2,2-dimethyl-N-(piperidin-4-ylmethyl)-N-propylcyclopentane-1-carboxamide
CID 107180947
methyl 2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-propylamino]acetate
CID 102628522
N-(cyanomethyl)-2,2-dimethyl-N-propylcyclohexane-1-carboxamide
CID 107178551
methyl 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-ethylamino]acetate
CID 61383495
N-(2-hydroxypropyl)-N,2,2-trimethylcyclopentane-1-carboxamide
CID 104918373
propyl 2,2-dimethylcyclopentane-1-carboxylate
CID 104918779
N-(2-methoxyethoxy)-2,2-dimethylcyclopentane-1-carboxamide
CID 104918028

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,2-dimethylcyclopentanecarbonyl)-ethylamino]acetate?
The IUPAC name of methyl 2-[(2,2-dimethylcyclopentanecarbonyl)-ethylamino]acetate (CID 104917407) is methyl 2-[(2,2-dimethylcyclopentanecarbonyl)-ethylamino]acetate.
What is the SMILES notation for methyl 2-[(2,2-dimethylcyclopentanecarbonyl)-ethylamino]acetate?
The canonical SMILES for methyl 2-[(2,2-dimethylcyclopentanecarbonyl)-ethylamino]acetate is CCN(CC(=O)OC)C(=O)C1CCCC1(C)C.
What is the InChIKey of methyl 2-[(2,2-dimethylcyclopentanecarbonyl)-ethylamino]acetate?
The InChIKey is PFLBAGXYDPJBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-5-14(9-11(15)17-4)12(16)10-7-6-8-13(10,2)3/h10H,5-9H2,1-4H3.
What are the key properties of methyl 2-[(2,2-dimethylcyclopentanecarbonyl)-ethylamino]acetate?
methyl 2-[(2,2-dimethylcyclopentanecarbonyl)-ethylamino]acetate has a molecular weight of 241.33 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,2-dimethylcyclopentanecarbonyl)-ethylamino]acetate is sourced from PubChem (CID 104917407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).