copper (2S)-2-aminopentanedioate

C5H7CuNO4 — CID 87093217

IUPACcopper (2S)-2-aminopentanedioate
SMILESN[C@@H](CCC(=O)[O-])C(=O)[O-].[Cu+2]
InChIInChI=1S/C5H9NO4.Cu/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);/q;+2/p-2/t3-;/m0./s1
InChIKeyHIAAPJWEVOPQRI-DFWYDOINSA-L
MW208.66 g/mol
LogP-3.41
Rot. Bonds4

About copper (2S)-2-aminopentanedioate

copper (2S)-2-aminopentanedioate (PubChem CID 87093217) has the molecular formula C5H7CuNO4 and a molecular weight of 208.66 g/mol. Its IUPAC name is copper (2S)-2-aminopentanedioate.

Molecular Properties

Compound Namecopper (2S)-2-aminopentanedioate
PubChem CID87093217
Molecular FormulaC5H7CuNO4
Molecular Weight208.66 g/mol
Exact Mass207.97
IUPAC Namecopper (2S)-2-aminopentanedioate
SMILESN[C@@H](CCC(=O)[O-])C(=O)[O-].[Cu+2]
InChIInChI=1S/C5H9NO4.Cu/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);/q;+2/p-2/t3-;/m0./s1
InChIKeyHIAAPJWEVOPQRI-DFWYDOINSA-L
XLogP-3.41
TPSA106.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.66
LogP ≤ 5-3.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-aminopentanedioate;cadmium(2+)
CID 159859619
diazanium;2-aminopentanedioate
CID 22497325
(2S)-2-aminopentanedioate;nickel(2+)
CID 87532151
tris((2S)-2-aminopentanedioate);bis(cerium(3+))
CID 160944724
(2S)-2-aminopentanedioate;manganese(2+)
CID 10442757
strontium;(2R)-2-aminopentanedioate;hydrate
CID 141288425
strontium;(2S)-2-aminopentanedioate;pentahydrate
CID 172813696
calcium;bis((2S)-2-aminopentanedioate);hydride
CID 139033629
tetrasodium;2-aminopentanedioate;oxalate
CID 175012253
tetrasodium;2-aminopentanedioate;diacetate
CID 18668480
calcium;bis((2S)-2-aminopentanedioate);hydron;tetrahydrate
CID 91826886
disodium;2-aminopentanedioate;ethane-1,2-diol
CID 174730127

Frequently Asked Questions

What is the IUPAC name of copper (2S)-2-aminopentanedioate?
The IUPAC name of copper (2S)-2-aminopentanedioate (CID 87093217) is copper (2S)-2-aminopentanedioate.
What is the SMILES notation for copper (2S)-2-aminopentanedioate?
The canonical SMILES for copper (2S)-2-aminopentanedioate is N[C@@H](CCC(=O)[O-])C(=O)[O-].[Cu+2].
What is the InChIKey of copper (2S)-2-aminopentanedioate?
The InChIKey is HIAAPJWEVOPQRI-DFWYDOINSA-L. The full InChI is InChI=1S/C5H9NO4.Cu/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);/q;+2/p-2/t3-;/m0./s1.
What are the key properties of copper (2S)-2-aminopentanedioate?
copper (2S)-2-aminopentanedioate has a molecular weight of 208.66 g/mol, XLogP of -3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for copper (2S)-2-aminopentanedioate is sourced from PubChem (CID 87093217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).