2'-aminospiro[bicyclo[3.1.0]hexane-4,1'-cyclopropane]-2,6-dicarboxylic acid

C10H13NO4 — CID 141420289

IUPAC2'-aminospiro[bicyclo[3.1.0]hexane-4,1'-cyclopropane]-2,6-dicarboxylic acid
SMILESNC1CC12CC(C(=O)O)C1C(C(=O)O)C12
InChIInChI=1S/C10H13NO4/c11-4-2-10(4)1-3(8(12)13)5-6(7(5)10)9(14)15/h3-7H,1-2,11H2,(H,12,13)(H,14,15)
InChIKeyUUSNNKGEWNURLS-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.24
Rot. Bonds2

About 2'-aminospiro[bicyclo[3.1.0]hexane-4,1'-cyclopropane]-2,6-dicarboxylic acid

2'-aminospiro[bicyclo[3.1.0]hexane-4,1'-cyclopropane]-2,6-dicarboxylic acid (PubChem CID 141420289) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2'-aminospiro[bicyclo[3.1.0]hexane-4,1'-cyclopropane]-2,6-dicarboxylic acid.

Molecular Properties

Compound Name2'-aminospiro[bicyclo[3.1.0]hexane-4,1'-cyclopropane]-2,6-dicarboxylic acid
PubChem CID141420289
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name2'-aminospiro[bicyclo[3.1.0]hexane-4,1'-cyclopropane]-2,6-dicarboxylic acid
SMILESNC1CC12CC(C(=O)O)C1C(C(=O)O)C12
InChIInChI=1S/C10H13NO4/c11-4-2-10(4)1-3(8(12)13)5-6(7(5)10)9(14)15/h3-7H,1-2,11H2,(H,12,13)(H,14,15)
InChIKeyUUSNNKGEWNURLS-UHFFFAOYSA-N
XLogP-0.24
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2'-aminospiro[bicyclo[3.1.0]hexane-4,1'-cyclopropane]-2,6-dicarboxylic acid with MolForge

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Related Compounds

4-aminocyclopentane-1,2,4-tricarboxylic acid
CID 4302961
2-amino-4-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid;hydrochloride
CID 77214893
trans-(1R,2R)-cyclopentane-1,2,3,4-tetracarboxylic acid
CID 54441949
trans-(1S,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid
CID 126970437
cis-(1R,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid
CID 5275652
3-aminotricyclo[2.2.1.02,6]heptane-3,5-dicarboxylic acid
CID 22708856
cis-(1R,2S)-2-amino-4,4-dimethylcyclopentane-1-carboxylic acid;hydrochloride
CID 45262222
cis-(1R,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid;hydrochloride
CID 45262187
(9S,10R)-10-aminopentacyclo[4.4.0.02,4.03,8.05,7]decane-9-carboxylic acid
CID 140602798
4-amino-3,4-dihydro-2H-thiopyran-3-carboxylic acid
CID 45084935
(1S,2R,3R,5S)-5-hydroxy-3,5-dimethylcyclohexane-1,2-dicarboxylic acid
CID 101073122
(1R,2S,5S,6R)-2-aminobicyclo[3.1.0]hexane-6-carboxylic acid
CID 170915271

Frequently Asked Questions

What is the IUPAC name of 2'-aminospiro[bicyclo[3.1.0]hexane-4,1'-cyclopropane]-2,6-dicarboxylic acid?
The IUPAC name of 2'-aminospiro[bicyclo[3.1.0]hexane-4,1'-cyclopropane]-2,6-dicarboxylic acid (CID 141420289) is 2'-aminospiro[bicyclo[3.1.0]hexane-4,1'-cyclopropane]-2,6-dicarboxylic acid.
What is the SMILES notation for 2'-aminospiro[bicyclo[3.1.0]hexane-4,1'-cyclopropane]-2,6-dicarboxylic acid?
The canonical SMILES for 2'-aminospiro[bicyclo[3.1.0]hexane-4,1'-cyclopropane]-2,6-dicarboxylic acid is NC1CC12CC(C(=O)O)C1C(C(=O)O)C12.
What is the InChIKey of 2'-aminospiro[bicyclo[3.1.0]hexane-4,1'-cyclopropane]-2,6-dicarboxylic acid?
The InChIKey is UUSNNKGEWNURLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c11-4-2-10(4)1-3(8(12)13)5-6(7(5)10)9(14)15/h3-7H,1-2,11H2,(H,12,13)(H,14,15).
What are the key properties of 2'-aminospiro[bicyclo[3.1.0]hexane-4,1'-cyclopropane]-2,6-dicarboxylic acid?
2'-aminospiro[bicyclo[3.1.0]hexane-4,1'-cyclopropane]-2,6-dicarboxylic acid has a molecular weight of 211.22 g/mol, XLogP of -0.24, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-aminospiro[bicyclo[3.1.0]hexane-4,1'-cyclopropane]-2,6-dicarboxylic acid is sourced from PubChem (CID 141420289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).