methyl 2-amino-3-(3-azaspiro[5.5]undecan-3-yl)-2-methylpropanoate

C15H28N2O2 — CID 55157662

IUPACmethyl 2-amino-3-(3-azaspiro[5.5]undecan-3-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)(N)CN1CCC2(CCCCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-14(16,13(18)19-2)12-17-10-8-15(9-11-17)6-4-3-5-7-15/h3-12,16H2,1-2H3
InChIKeyAHLJLOBNOCYGAN-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.92
Rot. Bonds3

About methyl 2-amino-3-(3-azaspiro[5.5]undecan-3-yl)-2-methylpropanoate

methyl 2-amino-3-(3-azaspiro[5.5]undecan-3-yl)-2-methylpropanoate (PubChem CID 55157662) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is methyl 2-amino-3-(3-azaspiro[5.5]undecan-3-yl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(3-azaspiro[5.5]undecan-3-yl)-2-methylpropanoate
PubChem CID55157662
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Namemethyl 2-amino-3-(3-azaspiro[5.5]undecan-3-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)(N)CN1CCC2(CCCCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-14(16,13(18)19-2)12-17-10-8-15(9-11-17)6-4-3-5-7-15/h3-12,16H2,1-2H3
InChIKeyAHLJLOBNOCYGAN-UHFFFAOYSA-N
XLogP1.92
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(3-azaspiro[5.5]undecan-3-yl)-2,2-dimethylpropanoate
CID 79620588
3-(8-azaspiro[4.5]decan-8-yl)-2,2-dimethylpropanehydrazide
CID 79628363
4-(8-azaspiro[4.5]decan-8-yl)-3,3-dimethylbutan-2-one
CID 66452950
3-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(methylamino)propanoic acid
CID 63159460
3-(3-azaspiro[5.5]undecan-3-yl)-2,2-dimethylpropan-1-amine
CID 55156710
3-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)-2-methylpropanoic acid
CID 63159802
methyl 2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanoate
CID 106588642
methyl 2-amino-4-(3-azaspiro[5.5]undecan-3-yl)butanoate
CID 63055400
3-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(propan-2-ylamino)propanoic acid
CID 63159759
methyl 2-amino-6-(4,4-dimethylazepan-1-yl)-2-methylhexanoate
CID 65281847
methyl 2-amino-2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propanoate
CID 114539439
methyl 2-amino-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpropanoate
CID 104968691

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(3-azaspiro[5.5]undecan-3-yl)-2-methylpropanoate?
The IUPAC name of methyl 2-amino-3-(3-azaspiro[5.5]undecan-3-yl)-2-methylpropanoate (CID 55157662) is methyl 2-amino-3-(3-azaspiro[5.5]undecan-3-yl)-2-methylpropanoate.
What is the SMILES notation for methyl 2-amino-3-(3-azaspiro[5.5]undecan-3-yl)-2-methylpropanoate?
The canonical SMILES for methyl 2-amino-3-(3-azaspiro[5.5]undecan-3-yl)-2-methylpropanoate is COC(=O)C(C)(N)CN1CCC2(CCCCC2)CC1.
What is the InChIKey of methyl 2-amino-3-(3-azaspiro[5.5]undecan-3-yl)-2-methylpropanoate?
The InChIKey is AHLJLOBNOCYGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-14(16,13(18)19-2)12-17-10-8-15(9-11-17)6-4-3-5-7-15/h3-12,16H2,1-2H3.
What are the key properties of methyl 2-amino-3-(3-azaspiro[5.5]undecan-3-yl)-2-methylpropanoate?
methyl 2-amino-3-(3-azaspiro[5.5]undecan-3-yl)-2-methylpropanoate has a molecular weight of 268.40 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(3-azaspiro[5.5]undecan-3-yl)-2-methylpropanoate is sourced from PubChem (CID 55157662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).