(3R)-3-[cyclopropylmethylsulfonyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid

C14H24N2O5S — CID 126505784

IUPAC(3R)-3-[cyclopropylmethylsulfonyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
SMILESCN([C@H]1COC2(CCN(C(=O)O)CC2)C1)S(=O)(=O)CC1CC1
InChIInChI=1S/C14H24N2O5S/c1-15(22(19,20)10-11-2-3-11)12-8-14(21-9-12)4-6-16(7-5-14)13(17)18/h11-12H,2-10H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeyNFBJGFXOERPEPR-GFCCVEGCSA-N
MW332.42 g/mol
LogP0.96
Rot. Bonds4

About (3R)-3-[cyclopropylmethylsulfonyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid

(3R)-3-[cyclopropylmethylsulfonyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid (PubChem CID 126505784) has the molecular formula C14H24N2O5S and a molecular weight of 332.42 g/mol. Its IUPAC name is (3R)-3-[cyclopropylmethylsulfonyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[cyclopropylmethylsulfonyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
PubChem CID126505784
Molecular FormulaC14H24N2O5S
Molecular Weight332.42 g/mol
Exact Mass332.14
IUPAC Name(3R)-3-[cyclopropylmethylsulfonyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
SMILESCN([C@H]1COC2(CCN(C(=O)O)CC2)C1)S(=O)(=O)CC1CC1
InChIInChI=1S/C14H24N2O5S/c1-15(22(19,20)10-11-2-3-11)12-8-14(21-9-12)4-6-16(7-5-14)13(17)18/h11-12H,2-10H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeyNFBJGFXOERPEPR-GFCCVEGCSA-N
XLogP0.96
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-3-[cyclopropylmethylsulfonyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic 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 (3R)-3-[cyclopropylmethylsulfonyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid?
The IUPAC name of (3R)-3-[cyclopropylmethylsulfonyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid (CID 126505784) is (3R)-3-[cyclopropylmethylsulfonyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid.
What is the SMILES notation for (3R)-3-[cyclopropylmethylsulfonyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid?
The canonical SMILES for (3R)-3-[cyclopropylmethylsulfonyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid is CN([C@H]1COC2(CCN(C(=O)O)CC2)C1)S(=O)(=O)CC1CC1.
What is the InChIKey of (3R)-3-[cyclopropylmethylsulfonyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid?
The InChIKey is NFBJGFXOERPEPR-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H24N2O5S/c1-15(22(19,20)10-11-2-3-11)12-8-14(21-9-12)4-6-16(7-5-14)13(17)18/h11-12H,2-10H2,1H3,(H,17,18)/t12-/m1/s1.
What are the key properties of (3R)-3-[cyclopropylmethylsulfonyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid?
(3R)-3-[cyclopropylmethylsulfonyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid has a molecular weight of 332.42 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[cyclopropylmethylsulfonyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid is sourced from PubChem (CID 126505784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).