methyl 2-[(1,2,2-trimethylcyclopentanecarbonyl)amino]acetate

C12H21NO3 — CID 135255088

IUPACmethyl 2-[(1,2,2-trimethylcyclopentanecarbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)C1(C)CCCC1(C)C
InChIInChI=1S/C12H21NO3/c1-11(2)6-5-7-12(11,3)10(15)13-8-9(14)16-4/h5-8H2,1-4H3,(H,13,15)
InChIKeyACAAYZFTGCVKPH-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.49
Rot. Bonds3

About methyl 2-[(1,2,2-trimethylcyclopentanecarbonyl)amino]acetate

methyl 2-[(1,2,2-trimethylcyclopentanecarbonyl)amino]acetate (PubChem CID 135255088) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is methyl 2-[(1,2,2-trimethylcyclopentanecarbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(1,2,2-trimethylcyclopentanecarbonyl)amino]acetate
PubChem CID135255088
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Namemethyl 2-[(1,2,2-trimethylcyclopentanecarbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)C1(C)CCCC1(C)C
InChIInChI=1S/C12H21NO3/c1-11(2)6-5-7-12(11,3)10(15)13-8-9(14)16-4/h5-8H2,1-4H3,(H,13,15)
InChIKeyACAAYZFTGCVKPH-UHFFFAOYSA-N
XLogP1.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1,2,2-trimethylcyclopentane-1-carboxamide
CID 135255073
methyl 2-[[(3R,5S)-3,5-dimethyladamantane-1-carbonyl]amino]acetate
CID 27194648
2-[1-[(2-methoxy-2-oxoethyl)carbamoylamino]cyclohexyl]acetic acid
CID 64701993
methyl 2-[1-(2-aminopropan-2-yl)-2,2-dimethylcyclopentyl]acetate
CID 79863323
(1S)-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 11805005
1-[(1R)-1,2,2-trimethylcyclopentyl]ethanone
CID 45086010
methyl 2-(1-hydroxycyclobutyl)acetate
CID 59069629
methyl 3-(1-methylcyclobutyl)-3-oxopropanoate
CID 115013729
methyl 2-(methoxycarbonylamino)acetate
CID 14133519
methyl 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]acetate
CID 115359540
methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]acetate
CID 81411374
methyl 2-[(2-cyclohexylacetyl)amino]acetate
CID 43404765

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1,2,2-trimethylcyclopentanecarbonyl)amino]acetate?
The IUPAC name of methyl 2-[(1,2,2-trimethylcyclopentanecarbonyl)amino]acetate (CID 135255088) is methyl 2-[(1,2,2-trimethylcyclopentanecarbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(1,2,2-trimethylcyclopentanecarbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(1,2,2-trimethylcyclopentanecarbonyl)amino]acetate is COC(=O)CNC(=O)C1(C)CCCC1(C)C.
What is the InChIKey of methyl 2-[(1,2,2-trimethylcyclopentanecarbonyl)amino]acetate?
The InChIKey is ACAAYZFTGCVKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-11(2)6-5-7-12(11,3)10(15)13-8-9(14)16-4/h5-8H2,1-4H3,(H,13,15).
What are the key properties of methyl 2-[(1,2,2-trimethylcyclopentanecarbonyl)amino]acetate?
methyl 2-[(1,2,2-trimethylcyclopentanecarbonyl)amino]acetate has a molecular weight of 227.30 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1,2,2-trimethylcyclopentanecarbonyl)amino]acetate is sourced from PubChem (CID 135255088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).