(1S,2S,5S,6R)-6-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid;hydrochloride

C8H12ClNO4 — CID 73357649

IUPAC(1S,2S,5S,6R)-6-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid;hydrochloride
SMILESCl.N[C@@]1(C(=O)O)[C@@H]2[C@@H](C(=O)O)CC[C@@H]21
InChIInChI=1S/C8H11NO4.ClH/c9-8(7(12)13)4-2-1-3(5(4)8)6(10)11;/h3-5H,1-2,9H2,(H,10,11)(H,12,13);1H/t3-,4-,5+,8+;/m0./s1
InChIKeyZIUJAAHPCVQWIM-PEPRFWCVSA-N
MW221.64 g/mol
LogP-0.07
Rot. Bonds2

About (1S,2S,5S,6R)-6-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid;hydrochloride

(1S,2S,5S,6R)-6-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid;hydrochloride (PubChem CID 73357649) has the molecular formula C8H12ClNO4 and a molecular weight of 221.64 g/mol. Its IUPAC name is (1S,2S,5S,6R)-6-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid;hydrochloride.

Molecular Properties

Compound Name(1S,2S,5S,6R)-6-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid;hydrochloride
PubChem CID73357649
Molecular FormulaC8H12ClNO4
Molecular Weight221.64 g/mol
Exact Mass221.05
IUPAC Name(1S,2S,5S,6R)-6-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid;hydrochloride
SMILESCl.N[C@@]1(C(=O)O)[C@@H]2[C@@H](C(=O)O)CC[C@@H]21
InChIInChI=1S/C8H11NO4.ClH/c9-8(7(12)13)4-2-1-3(5(4)8)6(10)11;/h3-5H,1-2,9H2,(H,10,11)(H,12,13);1H/t3-,4-,5+,8+;/m0./s1
InChIKeyZIUJAAHPCVQWIM-PEPRFWCVSA-N
XLogP-0.07
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.64
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (1S,2S,5S,6R)-6-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

(1S,2R,5R)-6,6-difluorobicyclo[3.1.0]hexane-2-carboxylic acid
CID 166000589
6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid
CID 18330854
(2R)-cyclobutane-1,2-dicarboxylic acid
CID 135193426
3-aminotricyclo[2.2.1.02,6]heptane-3,5-dicarboxylic acid
CID 22708856
4-aminocyclopentane-1,2,4-tricarboxylic acid
CID 4302961
9-aminobicyclo[3.3.1]nonane-9-carboxylic acid
CID 4866632
cis-(1R,2S)-cyclopropane-1,2-dicarboxylic acid
CID 726455
trans-(1R,2R)-cyclohexane-1,2-dicarboxylic acid;hydrochloride
CID 70535628
(1R,2S,4R,5S)-4,5-dihydroxycyclohexane-1,2-dicarboxylic acid
CID 68905410
(1R,2R,3S,4S)-2-amino-3-chlorobicyclo[2.2.1]heptane-2-carboxylic acid
CID 93288931
trans-(1S,2S)-2-[(S)-amino(carboxy)methyl]cyclobutane-1-carboxylic acid
CID 10352165
3-amino-2,3-dimethylcyclopentane-1-carboxylic acid
CID 45122086

Frequently Asked Questions

What is the IUPAC name of (1S,2S,5S,6R)-6-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid;hydrochloride?
The IUPAC name of (1S,2S,5S,6R)-6-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid;hydrochloride (CID 73357649) is (1S,2S,5S,6R)-6-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid;hydrochloride.
What is the SMILES notation for (1S,2S,5S,6R)-6-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid;hydrochloride?
The canonical SMILES for (1S,2S,5S,6R)-6-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid;hydrochloride is Cl.N[C@@]1(C(=O)O)[C@@H]2[C@@H](C(=O)O)CC[C@@H]21.
What is the InChIKey of (1S,2S,5S,6R)-6-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid;hydrochloride?
The InChIKey is ZIUJAAHPCVQWIM-PEPRFWCVSA-N. The full InChI is InChI=1S/C8H11NO4.ClH/c9-8(7(12)13)4-2-1-3(5(4)8)6(10)11;/h3-5H,1-2,9H2,(H,10,11)(H,12,13);1H/t3-,4-,5+,8+;/m0./s1.
What are the key properties of (1S,2S,5S,6R)-6-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid;hydrochloride?
(1S,2S,5S,6R)-6-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid;hydrochloride has a molecular weight of 221.64 g/mol, XLogP of -0.07, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5S,6R)-6-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid;hydrochloride is sourced from PubChem (CID 73357649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).