methyl 6-aminospiro[2.5]octane-2-carboxylate

C10H17NO2 — CID 84659210

IUPACmethyl 6-aminospiro[2.5]octane-2-carboxylate
SMILESCOC(=O)C1CC12CCC(N)CC2
InChIInChI=1S/C10H17NO2/c1-13-9(12)8-6-10(8)4-2-7(11)3-5-10/h7-8H,2-6,11H2,1H3
InChIKeyRTPPOTPUSKTGNM-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.07
Rot. Bonds1

About methyl 6-aminospiro[2.5]octane-2-carboxylate

methyl 6-aminospiro[2.5]octane-2-carboxylate (PubChem CID 84659210) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl 6-aminospiro[2.5]octane-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-aminospiro[2.5]octane-2-carboxylate
PubChem CID84659210
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namemethyl 6-aminospiro[2.5]octane-2-carboxylate
SMILESCOC(=O)C1CC12CCC(N)CC2
InChIInChI=1S/C10H17NO2/c1-13-9(12)8-6-10(8)4-2-7(11)3-5-10/h7-8H,2-6,11H2,1H3
InChIKeyRTPPOTPUSKTGNM-UHFFFAOYSA-N
XLogP1.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl trans-2-(4-Aminocyclohexyl)acetate Hydrochloride
CID 12603945
Ethyl 2-(4-aminocyclohexyl)acetate
CID 3573480
Methyl 4-amino-5-cyclohexylpentanoate hydrochloride
CID 121553518
Methyl 6-aminospiro(2.5)octane-1-carboxylate hydrochloride
CID 132353806
Methyl 2-aminospiro(3.5)nonane-7-carboxylate hydrochloride
CID 137928433
rac-methyl (5R,6S)-6-aminospiro(2.5)octane-5-carboxylate hydrochloride
CID 137963990
2-(4-Aminocyclohexyl)propanoic acid
CID 20155180
Methyl 2-[4-(aminomethyl)cyclohexyl]acetate
CID 60082973
2-[(1R,3S)-3-[(2R)-2-aminopropyl]-2,2-dimethylcyclopropyl]acetic acid
CID 10352389
Methyl 3-cyclohexyl-3-(hydroxyamino)-2,2-dimethylpropanoate
CID 102082046
N-(6-methoxycarbonylethyl)cyclohexylamine
CID 129783493
methyl 2-[(1S)-5-amino-2,2-dimethylcyclohexyl]acetate
CID 135059297

Frequently Asked Questions

What is the IUPAC name of methyl 6-aminospiro[2.5]octane-2-carboxylate?
The IUPAC name of methyl 6-aminospiro[2.5]octane-2-carboxylate (CID 84659210) is methyl 6-aminospiro[2.5]octane-2-carboxylate.
What is the SMILES notation for methyl 6-aminospiro[2.5]octane-2-carboxylate?
The canonical SMILES for methyl 6-aminospiro[2.5]octane-2-carboxylate is COC(=O)C1CC12CCC(N)CC2.
What is the InChIKey of methyl 6-aminospiro[2.5]octane-2-carboxylate?
The InChIKey is RTPPOTPUSKTGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-13-9(12)8-6-10(8)4-2-7(11)3-5-10/h7-8H,2-6,11H2,1H3.
What are the key properties of methyl 6-aminospiro[2.5]octane-2-carboxylate?
methyl 6-aminospiro[2.5]octane-2-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-aminospiro[2.5]octane-2-carboxylate is sourced from PubChem (CID 84659210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).