2,5-diamino-5-oxopentanoic acid;1-methyl-2-sulfanylideneimidazolidin-4-one

C9H16N4O4S — CID 57375477

IUPAC2,5-diamino-5-oxopentanoic acid;1-methyl-2-sulfanylideneimidazolidin-4-one
SMILESCN1CC(=O)NC1=S.NC(=O)CCC(N)C(=O)O
InChIInChI=1S/C5H10N2O3.C4H6N2OS/c6-3(5(9)10)1-2-4(7)8;1-6-2-3(7)5-4(6)8/h3H,1-2,6H2,(H2,7,8)(H,9,10);2H2,1H3,(H,5,7,8)
InChIKeyOZFSAMGPDDSFRP-UHFFFAOYSA-N
MW276.32 g/mol
LogP-2.00
Rot. Bonds4

About 2,5-diamino-5-oxopentanoic acid;1-methyl-2-sulfanylideneimidazolidin-4-one

2,5-diamino-5-oxopentanoic acid;1-methyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 57375477) has the molecular formula C9H16N4O4S and a molecular weight of 276.32 g/mol. Its IUPAC name is 2,5-diamino-5-oxopentanoic acid;1-methyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name2,5-diamino-5-oxopentanoic acid;1-methyl-2-sulfanylideneimidazolidin-4-one
PubChem CID57375477
Molecular FormulaC9H16N4O4S
Molecular Weight276.32 g/mol
Exact Mass276.09
IUPAC Name2,5-diamino-5-oxopentanoic acid;1-methyl-2-sulfanylideneimidazolidin-4-one
SMILESCN1CC(=O)NC1=S.NC(=O)CCC(N)C(=O)O
InChIInChI=1S/C5H10N2O3.C4H6N2OS/c6-3(5(9)10)1-2-4(7)8;1-6-2-3(7)5-4(6)8/h3H,1-2,6H2,(H2,7,8)(H,9,10);2H2,1H3,(H,5,7,8)
InChIKeyOZFSAMGPDDSFRP-UHFFFAOYSA-N
XLogP-2.00
TPSA138.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 5-2.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2,5-diamino-5-oxopentanoic acid;gold
CID 87376233
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;sulfanol
CID 174328641
2,5-diamino-5-oxopentanoic acid;oxalic acid
CID 22114581
2,5-diamino-5-oxo(513C)pentanoic acid;2-oxo(113C)propanoic acid
CID 157421085
bis(2-aminopentanedioic acid);2,5-diamino-5-oxopentanoic acid
CID 134265308
potassium;sodium;2,5-diamino-5-oxopentanoic acid;hydride
CID 175449212

Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-5-oxopentanoic acid;1-methyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 2,5-diamino-5-oxopentanoic acid;1-methyl-2-sulfanylideneimidazolidin-4-one (CID 57375477) is 2,5-diamino-5-oxopentanoic acid;1-methyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 2,5-diamino-5-oxopentanoic acid;1-methyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 2,5-diamino-5-oxopentanoic acid;1-methyl-2-sulfanylideneimidazolidin-4-one is CN1CC(=O)NC1=S.NC(=O)CCC(N)C(=O)O.
What is the InChIKey of 2,5-diamino-5-oxopentanoic acid;1-methyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is OZFSAMGPDDSFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3.C4H6N2OS/c6-3(5(9)10)1-2-4(7)8;1-6-2-3(7)5-4(6)8/h3H,1-2,6H2,(H2,7,8)(H,9,10);2H2,1H3,(H,5,7,8).
What are the key properties of 2,5-diamino-5-oxopentanoic acid;1-methyl-2-sulfanylideneimidazolidin-4-one?
2,5-diamino-5-oxopentanoic acid;1-methyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 276.32 g/mol, XLogP of -2.00, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-5-oxopentanoic acid;1-methyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 57375477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).