(7R,8S)-8-amino-1,4-dioxaspiro[4.5]decane-7-carboxylic acid

C9H15NO4 — CID 87436012

IUPAC(7R,8S)-8-amino-1,4-dioxaspiro[4.5]decane-7-carboxylic acid
SMILESN[C@H]1CCC2(C[C@H]1C(=O)O)OCCO2
InChIInChI=1S/C9H15NO4/c10-7-1-2-9(13-3-4-14-9)5-6(7)8(11)12/h6-7H,1-5,10H2,(H,11,12)/t6-,7+/m1/s1
InChIKeyGVFSEJWLXADZGO-RQJHMYQMSA-N
MW201.22 g/mol
LogP-0.06
Rot. Bonds1

About (7R,8S)-8-amino-1,4-dioxaspiro[4.5]decane-7-carboxylic acid

(7R,8S)-8-amino-1,4-dioxaspiro[4.5]decane-7-carboxylic acid (PubChem CID 87436012) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is (7R,8S)-8-amino-1,4-dioxaspiro[4.5]decane-7-carboxylic acid.

Molecular Properties

Compound Name(7R,8S)-8-amino-1,4-dioxaspiro[4.5]decane-7-carboxylic acid
PubChem CID87436012
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name(7R,8S)-8-amino-1,4-dioxaspiro[4.5]decane-7-carboxylic acid
SMILESN[C@H]1CCC2(C[C@H]1C(=O)O)OCCO2
InChIInChI=1S/C9H15NO4/c10-7-1-2-9(13-3-4-14-9)5-6(7)8(11)12/h6-7H,1-5,10H2,(H,11,12)/t6-,7+/m1/s1
InChIKeyGVFSEJWLXADZGO-RQJHMYQMSA-N
XLogP-0.06
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5,5-difluorocyclohexane-1-carboxylic acid
CID 83854797
7-amino-1,4-dioxaspiro[4.5]decan-8-ol
CID 76655508
(8R)-1,4-dioxaspiro[4.4]nonan-8-amine
CID 95431886
(7S,8R)-8-anilino-1,4-dioxaspiro[4.5]decane-7-carboxylic acid
CID 68744279
(8S)-1,4-dioxaspiro[4.4]nonane-8-carboxamide
CID 158487306
(4-methylphenyl)sulfonyl (7R,8S)-8-amino-1,4-dioxaspiro[4.5]decane-7-carboxylate
CID 87436014
methyl 2-[(8-amino-1,4-dioxaspiro[4.5]decan-7-yl)sulfanyl]acetate
CID 64615213
7-(2-methyloxolan-3-yl)sulfinyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 107758310
7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 104958510
benzyl N-[(7R,8S)-8-amino-1,4-dioxaspiro[4.5]decan-7-yl]carbamate
CID 141094427
6-aminospiro[2.5]octane-2-carboxylic acid
CID 84653499
ethyl (7R,8R)-8-(propylamino)-1,4-dioxaspiro[4.5]decane-7-carboxylate
CID 14552387

Frequently Asked Questions

What is the IUPAC name of (7R,8S)-8-amino-1,4-dioxaspiro[4.5]decane-7-carboxylic acid?
The IUPAC name of (7R,8S)-8-amino-1,4-dioxaspiro[4.5]decane-7-carboxylic acid (CID 87436012) is (7R,8S)-8-amino-1,4-dioxaspiro[4.5]decane-7-carboxylic acid.
What is the SMILES notation for (7R,8S)-8-amino-1,4-dioxaspiro[4.5]decane-7-carboxylic acid?
The canonical SMILES for (7R,8S)-8-amino-1,4-dioxaspiro[4.5]decane-7-carboxylic acid is N[C@H]1CCC2(C[C@H]1C(=O)O)OCCO2.
What is the InChIKey of (7R,8S)-8-amino-1,4-dioxaspiro[4.5]decane-7-carboxylic acid?
The InChIKey is GVFSEJWLXADZGO-RQJHMYQMSA-N. The full InChI is InChI=1S/C9H15NO4/c10-7-1-2-9(13-3-4-14-9)5-6(7)8(11)12/h6-7H,1-5,10H2,(H,11,12)/t6-,7+/m1/s1.
What are the key properties of (7R,8S)-8-amino-1,4-dioxaspiro[4.5]decane-7-carboxylic acid?
(7R,8S)-8-amino-1,4-dioxaspiro[4.5]decane-7-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of -0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8S)-8-amino-1,4-dioxaspiro[4.5]decane-7-carboxylic acid is sourced from PubChem (CID 87436012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).