2-amino-5-methoxycarbonyl-5-azaspiro[2.3]hexane-2-carboxylic acid

C8H12N2O4 — CID 84669304

IUPAC2-amino-5-methoxycarbonyl-5-azaspiro[2.3]hexane-2-carboxylic acid
SMILESCOC(=O)N1CC2(C1)CC2(N)C(=O)O
InChIInChI=1S/C8H12N2O4/c1-14-6(13)10-3-7(4-10)2-8(7,9)5(11)12/h2-4,9H2,1H3,(H,11,12)
InChIKeyZKTWETBRPGYLPS-UHFFFAOYSA-N
MW200.19 g/mol
LogP-0.76
Rot. Bonds1

About 2-amino-5-methoxycarbonyl-5-azaspiro[2.3]hexane-2-carboxylic acid

2-amino-5-methoxycarbonyl-5-azaspiro[2.3]hexane-2-carboxylic acid (PubChem CID 84669304) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is 2-amino-5-methoxycarbonyl-5-azaspiro[2.3]hexane-2-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-methoxycarbonyl-5-azaspiro[2.3]hexane-2-carboxylic acid
PubChem CID84669304
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name2-amino-5-methoxycarbonyl-5-azaspiro[2.3]hexane-2-carboxylic acid
SMILESCOC(=O)N1CC2(C1)CC2(N)C(=O)O
InChIInChI=1S/C8H12N2O4/c1-14-6(13)10-3-7(4-10)2-8(7,9)5(11)12/h2-4,9H2,1H3,(H,11,12)
InChIKeyZKTWETBRPGYLPS-UHFFFAOYSA-N
XLogP-0.76
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-O-tert-butyl 2-O-methyl 2-amino-5-azaspiro[2.4]heptane-2,5-dicarboxylate
CID 84712725
2-amino-5-thiaspiro[2.3]hexane-2-carboxylic acid
CID 84650908
methyl 3,3,4,4-tetrafluoropyrrolidine-1-carboxylate
CID 126987071
methyl 3-(hydroxymethyl)-3-methylazetidine-1-carboxylate
CID 170710981
methyl 2-aminospiro[2.2]pentane-2-carboxylate;hydrochloride
CID 67031096
6-O-tert-butyl 2-O-methyl 2-amino-6-azaspiro[2.5]octane-2,6-dicarboxylate
CID 84715284
methyl 2-aminospiro[2.4]heptane-2-carboxylate;hydrochloride
CID 67031572
methyl 3-amino-3-(methoxymethyl)pyrrolidine-1-carboxylate
CID 83907145
methyl 3-(1-aminocyclopropyl)azetidine-1-carboxylate
CID 83905819
dimethyl 4-aminopiperidine-1,4-dicarboxylate
CID 131627153
2-(4-methoxycarbonylpiperazin-1-yl)propanoic acid
CID 62309651
(7aS)-2-methoxycarbonyl-3,7a-dihydro-1H-isoindole-3a-carboxylic acid
CID 67727585

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxycarbonyl-5-azaspiro[2.3]hexane-2-carboxylic acid?
The IUPAC name of 2-amino-5-methoxycarbonyl-5-azaspiro[2.3]hexane-2-carboxylic acid (CID 84669304) is 2-amino-5-methoxycarbonyl-5-azaspiro[2.3]hexane-2-carboxylic acid.
What is the SMILES notation for 2-amino-5-methoxycarbonyl-5-azaspiro[2.3]hexane-2-carboxylic acid?
The canonical SMILES for 2-amino-5-methoxycarbonyl-5-azaspiro[2.3]hexane-2-carboxylic acid is COC(=O)N1CC2(C1)CC2(N)C(=O)O.
What is the InChIKey of 2-amino-5-methoxycarbonyl-5-azaspiro[2.3]hexane-2-carboxylic acid?
The InChIKey is ZKTWETBRPGYLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c1-14-6(13)10-3-7(4-10)2-8(7,9)5(11)12/h2-4,9H2,1H3,(H,11,12).
What are the key properties of 2-amino-5-methoxycarbonyl-5-azaspiro[2.3]hexane-2-carboxylic acid?
2-amino-5-methoxycarbonyl-5-azaspiro[2.3]hexane-2-carboxylic acid has a molecular weight of 200.19 g/mol, XLogP of -0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methoxycarbonyl-5-azaspiro[2.3]hexane-2-carboxylic acid is sourced from PubChem (CID 84669304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).