methyl 2-amino-3-methylcyclopentane-1-carboxylate

C8H15NO2 — CID 54300457

IUPACmethyl 2-amino-3-methylcyclopentane-1-carboxylate
SMILESCOC(=O)C1CCC(C)C1N
InChIInChI=1S/C8H15NO2/c1-5-3-4-6(7(5)9)8(10)11-2/h5-7H,3-4,9H2,1-2H3
InChIKeySDUWMCNFWJAAJJ-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.53
Rot. Bonds1

About methyl 2-amino-3-methylcyclopentane-1-carboxylate

methyl 2-amino-3-methylcyclopentane-1-carboxylate (PubChem CID 54300457) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is methyl 2-amino-3-methylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-3-methylcyclopentane-1-carboxylate
PubChem CID54300457
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namemethyl 2-amino-3-methylcyclopentane-1-carboxylate
SMILESCOC(=O)C1CCC(C)C1N
InChIInChI=1S/C8H15NO2/c1-5-3-4-6(7(5)9)8(10)11-2/h5-7H,3-4,9H2,1-2H3
InChIKeySDUWMCNFWJAAJJ-UHFFFAOYSA-N
XLogP0.53
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (1S,2R,5S)-5-amino-2-methylcyclohexane-1-carboxylate
CID 155905120
(1R,2R,3S)-2-amino-3-methylcyclopentane-1-carboxylic acid
CID 95757427
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
methyl (1R,5R,6S)-6-aminobicyclo[3.1.0]hexane-2-carboxylate
CID 84650185
methyl 2-methylcyclopentane-1-carboxylate
CID 13435361
1-O-tert-butyl 3-O-methyl 4-aminocyclohexane-1,3-dicarboxylate
CID 71032749
methyl 2-carbonochloridoylcyclobutane-1-carboxylate
CID 12809237
3,4-bis(methoxycarbonyl)cyclohexane-1-carboxylic acid
CID 66983998
2-methoxycarbonyl-4-methylcyclohexane-1-carboxylic acid
CID 58841229
dimethyl (1R,2S,5S)-bicyclo[2.2.1]heptane-2,5-dicarboxylate
CID 174166263
trimethyl (1R,2R,4R)-cyclohexane-1,2,4-tricarboxylate
CID 12616208

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-methylcyclopentane-1-carboxylate?
The IUPAC name of methyl 2-amino-3-methylcyclopentane-1-carboxylate (CID 54300457) is methyl 2-amino-3-methylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-amino-3-methylcyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-amino-3-methylcyclopentane-1-carboxylate is COC(=O)C1CCC(C)C1N.
What is the InChIKey of methyl 2-amino-3-methylcyclopentane-1-carboxylate?
The InChIKey is SDUWMCNFWJAAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5-3-4-6(7(5)9)8(10)11-2/h5-7H,3-4,9H2,1-2H3.
What are the key properties of methyl 2-amino-3-methylcyclopentane-1-carboxylate?
methyl 2-amino-3-methylcyclopentane-1-carboxylate has a molecular weight of 157.21 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-methylcyclopentane-1-carboxylate is sourced from PubChem (CID 54300457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).