sodium;(2S)-2,5-diamino-5-oxopentanoic acid;2-oxopropanoate

C8H13N2NaO6 — CID 87359463

IUPACsodium;(2S)-2,5-diamino-5-oxopentanoic acid;2-oxopropanoate
SMILESCC(=O)C(=O)[O-].NC(=O)CC[C@H](N)C(=O)O.[Na+]
InChIInChI=1S/C5H10N2O3.C3H4O3.Na/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);/q;;+1/p-1/t3-;;/m0../s1
InChIKeyOWPYRRQQCJKSOL-QTNFYWBSSA-M
MW256.19 g/mol
LogP-6.01
Rot. Bonds5

About sodium;(2S)-2,5-diamino-5-oxopentanoic acid;2-oxopropanoate

sodium;(2S)-2,5-diamino-5-oxopentanoic acid;2-oxopropanoate (PubChem CID 87359463) has the molecular formula C8H13N2NaO6 and a molecular weight of 256.19 g/mol. Its IUPAC name is sodium;(2S)-2,5-diamino-5-oxopentanoic acid;2-oxopropanoate.

Molecular Properties

Compound Namesodium;(2S)-2,5-diamino-5-oxopentanoic acid;2-oxopropanoate
PubChem CID87359463
Molecular FormulaC8H13N2NaO6
Molecular Weight256.19 g/mol
Exact Mass256.07
IUPAC Namesodium;(2S)-2,5-diamino-5-oxopentanoic acid;2-oxopropanoate
SMILESCC(=O)C(=O)[O-].NC(=O)CC[C@H](N)C(=O)O.[Na+]
InChIInChI=1S/C5H10N2O3.C3H4O3.Na/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);/q;;+1/p-1/t3-;;/m0../s1
InChIKeyOWPYRRQQCJKSOL-QTNFYWBSSA-M
XLogP-6.01
TPSA163.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 5-6.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,5-diamino-5-oxo(513C)pentanoic acid;2-oxo(113C)propanoic acid
CID 157421085
potassium;sodium;2,5-diamino-5-oxopentanoic acid;hydride
CID 175449212
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
2,5-diamino-5-oxopentanoic acid;oxalic acid
CID 22114581
(2S)-2,5-diamino-5-oxopentanoic acid;sulfanol
CID 174328641
(2S)-2,5-diamino-5-oxopentanoic acid;2-methylbut-2-ene;hydrochloride
CID 159202405

Frequently Asked Questions

What is the IUPAC name of sodium;(2S)-2,5-diamino-5-oxopentanoic acid;2-oxopropanoate?
The IUPAC name of sodium;(2S)-2,5-diamino-5-oxopentanoic acid;2-oxopropanoate (CID 87359463) is sodium;(2S)-2,5-diamino-5-oxopentanoic acid;2-oxopropanoate.
What is the SMILES notation for sodium;(2S)-2,5-diamino-5-oxopentanoic acid;2-oxopropanoate?
The canonical SMILES for sodium;(2S)-2,5-diamino-5-oxopentanoic acid;2-oxopropanoate is CC(=O)C(=O)[O-].NC(=O)CC[C@H](N)C(=O)O.[Na+].
What is the InChIKey of sodium;(2S)-2,5-diamino-5-oxopentanoic acid;2-oxopropanoate?
The InChIKey is OWPYRRQQCJKSOL-QTNFYWBSSA-M. The full InChI is InChI=1S/C5H10N2O3.C3H4O3.Na/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);/q;;+1/p-1/t3-;;/m0../s1.
What are the key properties of sodium;(2S)-2,5-diamino-5-oxopentanoic acid;2-oxopropanoate?
sodium;(2S)-2,5-diamino-5-oxopentanoic acid;2-oxopropanoate has a molecular weight of 256.19 g/mol, XLogP of -6.01, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(2S)-2,5-diamino-5-oxopentanoic acid;2-oxopropanoate is sourced from PubChem (CID 87359463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).