[(2R,3S,4R)-3-fluoro-2-methyl-8-azaspiro[4.5]decan-4-yl]carbamic acid

C11H19FN2O2 — CID 135185606

IUPAC[(2R,3S,4R)-3-fluoro-2-methyl-8-azaspiro[4.5]decan-4-yl]carbamic acid
SMILESC[C@@H]1CC2(CCNCC2)[C@@H](NC(=O)O)[C@H]1F
InChIInChI=1S/C11H19FN2O2/c1-7-6-11(2-4-13-5-3-11)9(8(7)12)14-10(15)16/h7-9,13-14H,2-6H2,1H3,(H,15,16)/t7-,8+,9+/m1/s1
InChIKeyJYQWRWVQKUVDKY-VGMNWLOBSA-N
MW230.28 g/mol
LogP1.37
Rot. Bonds1

About [(2R,3S,4R)-3-fluoro-2-methyl-8-azaspiro[4.5]decan-4-yl]carbamic acid

[(2R,3S,4R)-3-fluoro-2-methyl-8-azaspiro[4.5]decan-4-yl]carbamic acid (PubChem CID 135185606) has the molecular formula C11H19FN2O2 and a molecular weight of 230.28 g/mol. Its IUPAC name is [(2R,3S,4R)-3-fluoro-2-methyl-8-azaspiro[4.5]decan-4-yl]carbamic acid.

Molecular Properties

Compound Name[(2R,3S,4R)-3-fluoro-2-methyl-8-azaspiro[4.5]decan-4-yl]carbamic acid
PubChem CID135185606
Molecular FormulaC11H19FN2O2
Molecular Weight230.28 g/mol
Exact Mass230.14
IUPAC Name[(2R,3S,4R)-3-fluoro-2-methyl-8-azaspiro[4.5]decan-4-yl]carbamic acid
SMILESC[C@@H]1CC2(CCNCC2)[C@@H](NC(=O)O)[C@H]1F
InChIInChI=1S/C11H19FN2O2/c1-7-6-11(2-4-13-5-3-11)9(8(7)12)14-10(15)16/h7-9,13-14H,2-6H2,1H3,(H,15,16)/t7-,8+,9+/m1/s1
InChIKeyJYQWRWVQKUVDKY-VGMNWLOBSA-N
XLogP1.37
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [(2R,3S,4R)-3-fluoro-2-methyl-8-azaspiro[4.5]decan-4-yl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R)-3-fluoro-2-methyl-8-azaspiro[4.5]decan-4-yl]carbamic acid?
The IUPAC name of [(2R,3S,4R)-3-fluoro-2-methyl-8-azaspiro[4.5]decan-4-yl]carbamic acid (CID 135185606) is [(2R,3S,4R)-3-fluoro-2-methyl-8-azaspiro[4.5]decan-4-yl]carbamic acid.
What is the SMILES notation for [(2R,3S,4R)-3-fluoro-2-methyl-8-azaspiro[4.5]decan-4-yl]carbamic acid?
The canonical SMILES for [(2R,3S,4R)-3-fluoro-2-methyl-8-azaspiro[4.5]decan-4-yl]carbamic acid is C[C@@H]1CC2(CCNCC2)[C@@H](NC(=O)O)[C@H]1F.
What is the InChIKey of [(2R,3S,4R)-3-fluoro-2-methyl-8-azaspiro[4.5]decan-4-yl]carbamic acid?
The InChIKey is JYQWRWVQKUVDKY-VGMNWLOBSA-N. The full InChI is InChI=1S/C11H19FN2O2/c1-7-6-11(2-4-13-5-3-11)9(8(7)12)14-10(15)16/h7-9,13-14H,2-6H2,1H3,(H,15,16)/t7-,8+,9+/m1/s1.
What are the key properties of [(2R,3S,4R)-3-fluoro-2-methyl-8-azaspiro[4.5]decan-4-yl]carbamic acid?
[(2R,3S,4R)-3-fluoro-2-methyl-8-azaspiro[4.5]decan-4-yl]carbamic acid has a molecular weight of 230.28 g/mol, XLogP of 1.37, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R)-3-fluoro-2-methyl-8-azaspiro[4.5]decan-4-yl]carbamic acid is sourced from PubChem (CID 135185606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).