2,5-diamino-5-oxopentanoic acid;dihydrochloride

C5H12Cl2N2O3 — CID 174895279

IUPAC2,5-diamino-5-oxopentanoic acid;dihydrochloride
SMILESCl.Cl.NC(=O)CCC(N)C(=O)O
InChIInChI=1S/C5H10N2O3.2ClH/c6-3(5(9)10)1-2-4(7)8;;/h3H,1-2,6H2,(H2,7,8)(H,9,10);2*1H
InChIKeyXCKFPYAYLYRVMK-UHFFFAOYSA-N
MW219.07 g/mol
LogP-0.49
Rot. Bonds4

About 2,5-diamino-5-oxopentanoic acid;dihydrochloride

2,5-diamino-5-oxopentanoic acid;dihydrochloride (PubChem CID 174895279) has the molecular formula C5H12Cl2N2O3 and a molecular weight of 219.07 g/mol. Its IUPAC name is 2,5-diamino-5-oxopentanoic acid;dihydrochloride.

Molecular Properties

Compound Name2,5-diamino-5-oxopentanoic acid;dihydrochloride
PubChem CID174895279
Molecular FormulaC5H12Cl2N2O3
Molecular Weight219.07 g/mol
Exact Mass218.02
IUPAC Name2,5-diamino-5-oxopentanoic acid;dihydrochloride
SMILESCl.Cl.NC(=O)CCC(N)C(=O)O
InChIInChI=1S/C5H10N2O3.2ClH/c6-3(5(9)10)1-2-4(7)8;;/h3H,1-2,6H2,(H2,7,8)(H,9,10);2*1H
InChIKeyXCKFPYAYLYRVMK-UHFFFAOYSA-N
XLogP-0.49
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.07
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-bis(15N)(azanyl)-5-oxopentanoic acid
CID 87103617
(2S)-2,5-diamino-5-oxo(413C)pentanoic acid
CID 71309916
2,5-diamino-5-oxopentanoic acid
CID 738
aluminum 2,5-diamino-5-oxopentanoic acid
CID 20532187
2,5-diamino-5-oxopentanoic acid;dihydrate
CID 174966770
(2S)-2,5-diamino-5-oxopentanoic acid;gold
CID 87376233
(2S)-2,5-diamino-5-oxopentanoic acid;sulfanol
CID 174328641
2,5-diamino-5-oxopentanoic acid;oxalic acid
CID 22114581
potassium;sodium;2,5-diamino-5-oxopentanoic acid;hydride
CID 175449212
bis(2-aminopentanedioic acid);2,5-diamino-5-oxopentanoic acid
CID 134265308
(2S)-2,6-diamino-6-oxohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid
CID 160740452
(2S)-2-aminopentanedioic acid;(2S)-2,5-diamino-5-oxopentanoic acid
CID 22791125

Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-5-oxopentanoic acid;dihydrochloride?
The IUPAC name of 2,5-diamino-5-oxopentanoic acid;dihydrochloride (CID 174895279) is 2,5-diamino-5-oxopentanoic acid;dihydrochloride.
What is the SMILES notation for 2,5-diamino-5-oxopentanoic acid;dihydrochloride?
The canonical SMILES for 2,5-diamino-5-oxopentanoic acid;dihydrochloride is Cl.Cl.NC(=O)CCC(N)C(=O)O.
What is the InChIKey of 2,5-diamino-5-oxopentanoic acid;dihydrochloride?
The InChIKey is XCKFPYAYLYRVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3.2ClH/c6-3(5(9)10)1-2-4(7)8;;/h3H,1-2,6H2,(H2,7,8)(H,9,10);2*1H.
What are the key properties of 2,5-diamino-5-oxopentanoic acid;dihydrochloride?
2,5-diamino-5-oxopentanoic acid;dihydrochloride has a molecular weight of 219.07 g/mol, XLogP of -0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-5-oxopentanoic acid;dihydrochloride is sourced from PubChem (CID 174895279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).