(1R,2S,5S,6S)-2-amino-4-oxobicyclo[3.1.0]hexane-2,6-dicarboxylic acid

C8H9NO5 — CID 13006360

IUPAC(1R,2S,5S,6S)-2-amino-4-oxobicyclo[3.1.0]hexane-2,6-dicarboxylic acid
SMILESN[C@@]1(C(=O)O)CC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]21
InChIInChI=1S/C8H9NO5/c9-8(7(13)14)1-2(10)3-4(5(3)8)6(11)12/h3-5H,1,9H2,(H,11,12)(H,13,14)/t3-,4-,5-,8+/m1/s1
InChIKeyXHBZYLUDOIQPFQ-DJSMDIAISA-N
MW199.16 g/mol
LogP-1.31
Rot. Bonds2

About (1R,2S,5S,6S)-2-amino-4-oxobicyclo[3.1.0]hexane-2,6-dicarboxylic acid

(1R,2S,5S,6S)-2-amino-4-oxobicyclo[3.1.0]hexane-2,6-dicarboxylic acid (PubChem CID 13006360) has the molecular formula C8H9NO5 and a molecular weight of 199.16 g/mol. Its IUPAC name is (1R,2S,5S,6S)-2-amino-4-oxobicyclo[3.1.0]hexane-2,6-dicarboxylic acid.

Molecular Properties

Compound Name(1R,2S,5S,6S)-2-amino-4-oxobicyclo[3.1.0]hexane-2,6-dicarboxylic acid
PubChem CID13006360
Molecular FormulaC8H9NO5
Molecular Weight199.16 g/mol
Exact Mass199.05
IUPAC Name(1R,2S,5S,6S)-2-amino-4-oxobicyclo[3.1.0]hexane-2,6-dicarboxylic acid
SMILESN[C@@]1(C(=O)O)CC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]21
InChIInChI=1S/C8H9NO5/c9-8(7(13)14)1-2(10)3-4(5(3)8)6(11)12/h3-5H,1,9H2,(H,11,12)(H,13,14)/t3-,4-,5-,8+/m1/s1
InChIKeyXHBZYLUDOIQPFQ-DJSMDIAISA-N
XLogP-1.31
TPSA117.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,5S,6S)-2-amino-4-oxobicyclo[3.1.0]hexane-2,6-dicarboxylic acid?
The IUPAC name of (1R,2S,5S,6S)-2-amino-4-oxobicyclo[3.1.0]hexane-2,6-dicarboxylic acid (CID 13006360) is (1R,2S,5S,6S)-2-amino-4-oxobicyclo[3.1.0]hexane-2,6-dicarboxylic acid.
What is the SMILES notation for (1R,2S,5S,6S)-2-amino-4-oxobicyclo[3.1.0]hexane-2,6-dicarboxylic acid?
The canonical SMILES for (1R,2S,5S,6S)-2-amino-4-oxobicyclo[3.1.0]hexane-2,6-dicarboxylic acid is N[C@@]1(C(=O)O)CC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]21.
What is the InChIKey of (1R,2S,5S,6S)-2-amino-4-oxobicyclo[3.1.0]hexane-2,6-dicarboxylic acid?
The InChIKey is XHBZYLUDOIQPFQ-DJSMDIAISA-N. The full InChI is InChI=1S/C8H9NO5/c9-8(7(13)14)1-2(10)3-4(5(3)8)6(11)12/h3-5H,1,9H2,(H,11,12)(H,13,14)/t3-,4-,5-,8+/m1/s1.
What are the key properties of (1R,2S,5S,6S)-2-amino-4-oxobicyclo[3.1.0]hexane-2,6-dicarboxylic acid?
(1R,2S,5S,6S)-2-amino-4-oxobicyclo[3.1.0]hexane-2,6-dicarboxylic acid has a molecular weight of 199.16 g/mol, XLogP of -1.31, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5S,6S)-2-amino-4-oxobicyclo[3.1.0]hexane-2,6-dicarboxylic acid is sourced from PubChem (CID 13006360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).