methyl 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylamino)acetate

C13H23NO2 — CID 21242529

IUPACmethyl 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylamino)acetate
SMILESCOC(=O)CNC1CCCC2CCCCC21
InChIInChI=1S/C13H23NO2/c1-16-13(15)9-14-12-8-4-6-10-5-2-3-7-11(10)12/h10-12,14H,2-9H2,1H3
InChIKeyFRYKHOCORABBOL-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.11
Rot. Bonds3

About methyl 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylamino)acetate

methyl 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylamino)acetate (PubChem CID 21242529) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is methyl 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylamino)acetate
PubChem CID21242529
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Namemethyl 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylamino)acetate
SMILESCOC(=O)CNC1CCCC2CCCCC21
InChIInChI=1S/C13H23NO2/c1-16-13(15)9-14-12-8-4-6-10-5-2-3-7-11(10)12/h10-12,14H,2-9H2,1H3
InChIKeyFRYKHOCORABBOL-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylamino)acetate?
The IUPAC name of methyl 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylamino)acetate (CID 21242529) is methyl 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylamino)acetate.
What is the SMILES notation for methyl 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylamino)acetate?
The canonical SMILES for methyl 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylamino)acetate is COC(=O)CNC1CCCC2CCCCC21.
What is the InChIKey of methyl 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylamino)acetate?
The InChIKey is FRYKHOCORABBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-16-13(15)9-14-12-8-4-6-10-5-2-3-7-11(10)12/h10-12,14H,2-9H2,1H3.
What are the key properties of methyl 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylamino)acetate?
methyl 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylamino)acetate has a molecular weight of 225.33 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylamino)acetate is sourced from PubChem (CID 21242529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).