2,5-diamino-5-oxo(513C)pentanoic acid;2-oxo(113C)propanoic acid

C8H14N2O6 — CID 157421085

IUPAC2,5-diamino-5-oxo(513C)pentanoic acid;2-oxo(113C)propanoic acid
SMILESCC(=O)[13C](=O)O.NC(CC[13C](N)=O)C(=O)O
InChIInChI=1S/C5H10N2O3.C3H4O3/c6-3(5(9)10)1-2-4(7)8;1-2(4)3(5)6/h3H,1-2,6H2,(H2,7,8)(H,9,10);1H3,(H,5,6)/i4+1;3+1
InChIKeyBPKJYWOWUZLUMZ-BUWGGSAVSA-N
MW236.19 g/mol
LogP-1.68
Rot. Bonds5

About 2,5-diamino-5-oxo(513C)pentanoic acid;2-oxo(113C)propanoic acid

2,5-diamino-5-oxo(513C)pentanoic acid;2-oxo(113C)propanoic acid (PubChem CID 157421085) has the molecular formula C8H14N2O6 and a molecular weight of 236.19 g/mol. Its IUPAC name is 2,5-diamino-5-oxo(513C)pentanoic acid;2-oxo(113C)propanoic acid.

Molecular Properties

Compound Name2,5-diamino-5-oxo(513C)pentanoic acid;2-oxo(113C)propanoic acid
PubChem CID157421085
Molecular FormulaC8H14N2O6
Molecular Weight236.19 g/mol
Exact Mass236.09
IUPAC Name2,5-diamino-5-oxo(513C)pentanoic acid;2-oxo(113C)propanoic acid
SMILESCC(=O)[13C](=O)O.NC(CC[13C](N)=O)C(=O)O
InChIInChI=1S/C5H10N2O3.C3H4O3/c6-3(5(9)10)1-2-4(7)8;1-2(4)3(5)6/h3H,1-2,6H2,(H2,7,8)(H,9,10);1H3,(H,5,6)/i4+1;3+1
InChIKeyBPKJYWOWUZLUMZ-BUWGGSAVSA-N
XLogP-1.68
TPSA160.78 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 5-1.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2,5-diamino-5-oxopentanoic acid;oxalic acid
CID 22114581
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;dihydrochloride
CID 174895279
2,5-diamino-5-oxopentanoic acid;dihydrate
CID 174966770
(2S)-2,5-diamino-5-oxopentanoic acid;gold
CID 87376233
sodium;(2S)-2,5-diamino-5-oxopentanoic acid;2-oxopropanoate
CID 87359463
(2S)-2,5-diamino-5-oxopentanoic acid;sulfanol
CID 174328641
(2S)-2-aminopentanedioic acid;azane;2-oxopropanoic acid;urea
CID 172836099
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CID 159202405

Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-5-oxo(513C)pentanoic acid;2-oxo(113C)propanoic acid?
The IUPAC name of 2,5-diamino-5-oxo(513C)pentanoic acid;2-oxo(113C)propanoic acid (CID 157421085) is 2,5-diamino-5-oxo(513C)pentanoic acid;2-oxo(113C)propanoic acid.
What is the SMILES notation for 2,5-diamino-5-oxo(513C)pentanoic acid;2-oxo(113C)propanoic acid?
The canonical SMILES for 2,5-diamino-5-oxo(513C)pentanoic acid;2-oxo(113C)propanoic acid is CC(=O)[13C](=O)O.NC(CC[13C](N)=O)C(=O)O.
What is the InChIKey of 2,5-diamino-5-oxo(513C)pentanoic acid;2-oxo(113C)propanoic acid?
The InChIKey is BPKJYWOWUZLUMZ-BUWGGSAVSA-N. The full InChI is InChI=1S/C5H10N2O3.C3H4O3/c6-3(5(9)10)1-2-4(7)8;1-2(4)3(5)6/h3H,1-2,6H2,(H2,7,8)(H,9,10);1H3,(H,5,6)/i4+1;3+1.
What are the key properties of 2,5-diamino-5-oxo(513C)pentanoic acid;2-oxo(113C)propanoic acid?
2,5-diamino-5-oxo(513C)pentanoic acid;2-oxo(113C)propanoic acid has a molecular weight of 236.19 g/mol, XLogP of -1.68, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-5-oxo(513C)pentanoic acid;2-oxo(113C)propanoic acid is sourced from PubChem (CID 157421085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).