methyl (4S)-2-azaspiro[4.4]nonane-4-carboxylate

C10H17NO2 — CID 129381539

IUPACmethyl (4S)-2-azaspiro[4.4]nonane-4-carboxylate
SMILESCOC(=O)[C@@H]1CNCC12CCCC2
InChIInChI=1S/C10H17NO2/c1-13-9(12)8-6-11-7-10(8)4-2-3-5-10/h8,11H,2-7H2,1H3/t8-/m0/s1
InChIKeyBEYVSPBULLUVHL-QMMMGPOBSA-N
MW183.25 g/mol
LogP0.94
Rot. Bonds1

About methyl (4S)-2-azaspiro[4.4]nonane-4-carboxylate

methyl (4S)-2-azaspiro[4.4]nonane-4-carboxylate (PubChem CID 129381539) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl (4S)-2-azaspiro[4.4]nonane-4-carboxylate.

Molecular Properties

Compound Namemethyl (4S)-2-azaspiro[4.4]nonane-4-carboxylate
PubChem CID129381539
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namemethyl (4S)-2-azaspiro[4.4]nonane-4-carboxylate
SMILESCOC(=O)[C@@H]1CNCC12CCCC2
InChIInChI=1S/C10H17NO2/c1-13-9(12)8-6-11-7-10(8)4-2-3-5-10/h8,11H,2-7H2,1H3/t8-/m0/s1
InChIKeyBEYVSPBULLUVHL-QMMMGPOBSA-N
XLogP0.94
TPSA38.33 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 ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 6-azaspiro[3.4]octane-8-carboxylate
CID 86811534
methyl 8-oxa-2-azaspiro[4.5]decane-4-carboxylate
CID 104706034
methyl 2-methoxy-6-azaspiro[3.4]octane-8-carboxylate
CID 106824169
methyl 3,3-dimethyl-2-oxa-7-azaspiro[4.4]nonane-9-carboxylate
CID 130997715
methyl spiro[2.6]nonane-2-carboxylate
CID 144510342
2-azaspiro[4.4]nonan-4-ylcarbamic acid
CID 118173842
methyl (3R,4R)-4-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxylate
CID 96885862
8-methyl-2-azaspiro[4.6]undecane-4-carboxylic acid
CID 65082433
methyl 4-(2-methoxyethyl)-4-methylpyrrolidine-3-carboxylate
CID 114486515
ethyl 7,8-dimethyl-2-azaspiro[4.5]decane-4-carboxylate
CID 114486788
methyl 7-oxa-1-azaspiro[3.5]nonane-3-carboxylate;hydrochloride
CID 155970957
2-azaspiro[4.4]nonan-4-yl-[(2R,4S)-2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 166276749

Frequently Asked Questions

What is the IUPAC name of methyl (4S)-2-azaspiro[4.4]nonane-4-carboxylate?
The IUPAC name of methyl (4S)-2-azaspiro[4.4]nonane-4-carboxylate (CID 129381539) is methyl (4S)-2-azaspiro[4.4]nonane-4-carboxylate.
What is the SMILES notation for methyl (4S)-2-azaspiro[4.4]nonane-4-carboxylate?
The canonical SMILES for methyl (4S)-2-azaspiro[4.4]nonane-4-carboxylate is COC(=O)[C@@H]1CNCC12CCCC2.
What is the InChIKey of methyl (4S)-2-azaspiro[4.4]nonane-4-carboxylate?
The InChIKey is BEYVSPBULLUVHL-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17NO2/c1-13-9(12)8-6-11-7-10(8)4-2-3-5-10/h8,11H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of methyl (4S)-2-azaspiro[4.4]nonane-4-carboxylate?
methyl (4S)-2-azaspiro[4.4]nonane-4-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-2-azaspiro[4.4]nonane-4-carboxylate is sourced from PubChem (CID 129381539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).