[(2S)-1-(8-methoxy-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-yl]carbamic acid

C13H23NO5 — CID 174220858

IUPAC[(2S)-1-(8-methoxy-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-yl]carbamic acid
SMILESCOC1(C[C@H](C)NC(=O)O)CCC2(CC1)OCCO2
InChIInChI=1S/C13H23NO5/c1-10(14-11(15)16)9-12(17-2)3-5-13(6-4-12)18-7-8-19-13/h10,14H,3-9H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyDRXURBIRLREINJ-JTQLQIEISA-N
MW273.33 g/mol
LogP1.73
Rot. Bonds4

About [(2S)-1-(8-methoxy-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-yl]carbamic acid

[(2S)-1-(8-methoxy-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-yl]carbamic acid (PubChem CID 174220858) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is [(2S)-1-(8-methoxy-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-1-(8-methoxy-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-yl]carbamic acid
PubChem CID174220858
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name[(2S)-1-(8-methoxy-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-yl]carbamic acid
SMILESCOC1(C[C@H](C)NC(=O)O)CCC2(CC1)OCCO2
InChIInChI=1S/C13H23NO5/c1-10(14-11(15)16)9-12(17-2)3-5-13(6-4-12)18-7-8-19-13/h10,14H,3-9H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyDRXURBIRLREINJ-JTQLQIEISA-N
XLogP1.73
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(8-methoxy-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-yl]carbamic acid?
The IUPAC name of [(2S)-1-(8-methoxy-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-yl]carbamic acid (CID 174220858) is [(2S)-1-(8-methoxy-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-1-(8-methoxy-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-1-(8-methoxy-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-yl]carbamic acid is COC1(C[C@H](C)NC(=O)O)CCC2(CC1)OCCO2.
What is the InChIKey of [(2S)-1-(8-methoxy-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-yl]carbamic acid?
The InChIKey is DRXURBIRLREINJ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H23NO5/c1-10(14-11(15)16)9-12(17-2)3-5-13(6-4-12)18-7-8-19-13/h10,14H,3-9H2,1-2H3,(H,15,16)/t10-/m0/s1.
What are the key properties of [(2S)-1-(8-methoxy-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-yl]carbamic acid?
[(2S)-1-(8-methoxy-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-yl]carbamic acid has a molecular weight of 273.33 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(8-methoxy-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-yl]carbamic acid is sourced from PubChem (CID 174220858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).