2,3-dihydroxybutanedioic acid;3-(dimethylcarbamoylimino)-1,1-dimethylurea

C10H18N4O8 — CID 87816587

IUPAC2,3-dihydroxybutanedioic acid;3-(dimethylcarbamoylimino)-1,1-dimethylurea
SMILESCN(C)C(=O)N=NC(=O)N(C)C.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C6H12N4O2.C4H6O6/c1-9(2)5(11)7-8-6(12)10(3)4;5-1(3(7)8)2(6)4(9)10/h1-4H3;1-2,5-6H,(H,7,8)(H,9,10)
InChIKeyZKURCKQYPHQLAX-UHFFFAOYSA-N
MW322.27 g/mol
LogP-1.32
Rot. Bonds3

About 2,3-dihydroxybutanedioic acid;3-(dimethylcarbamoylimino)-1,1-dimethylurea

2,3-dihydroxybutanedioic acid;3-(dimethylcarbamoylimino)-1,1-dimethylurea (PubChem CID 87816587) has the molecular formula C10H18N4O8 and a molecular weight of 322.27 g/mol. Its IUPAC name is 2,3-dihydroxybutanedioic acid;3-(dimethylcarbamoylimino)-1,1-dimethylurea.

Molecular Properties

Compound Name2,3-dihydroxybutanedioic acid;3-(dimethylcarbamoylimino)-1,1-dimethylurea
PubChem CID87816587
Molecular FormulaC10H18N4O8
Molecular Weight322.27 g/mol
Exact Mass322.11
IUPAC Name2,3-dihydroxybutanedioic acid;3-(dimethylcarbamoylimino)-1,1-dimethylurea
SMILESCN(C)C(=O)N=NC(=O)N(C)C.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C6H12N4O2.C4H6O6/c1-9(2)5(11)7-8-6(12)10(3)4;5-1(3(7)8)2(6)4(9)10/h1-4H3;1-2,5-6H,(H,7,8)(H,9,10)
InChIKeyZKURCKQYPHQLAX-UHFFFAOYSA-N
XLogP-1.32
TPSA180.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.27
LogP ≤ 5-1.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

3-(dimethylcarbamoylimino)-1,1-dimethylurea
CID 4278
(2R,3S)-2,3-dihydroxybutanedioic acid;zinc
CID 175911129
2,3-dihydroxybutanedioic acid;iron(2+)
CID 3083786
2,3-dihydroxybutanedioic acid;rhodium
CID 88806318
alumane;2,3-dihydroxybutanedioic acid
CID 173001814
azane;(2R,3S)-2,3-dihydroxybutanedioic acid
CID 175972290
CID 175721627
CID 175721627
CID 88745910
CID 88745910
2,3-dihydroxybutanedioic acid;bis(oxovanadium)
CID 174653696
sodium;boranuide;2,3-dihydroxybutanedioic acid
CID 175293038
copper;2,3-dihydroxybutanedioic acid;zirconium
CID 174738764
sodium;2,3-dihydroxybutanedioic acid;fluoride
CID 157387580

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxybutanedioic acid;3-(dimethylcarbamoylimino)-1,1-dimethylurea?
The IUPAC name of 2,3-dihydroxybutanedioic acid;3-(dimethylcarbamoylimino)-1,1-dimethylurea (CID 87816587) is 2,3-dihydroxybutanedioic acid;3-(dimethylcarbamoylimino)-1,1-dimethylurea.
What is the SMILES notation for 2,3-dihydroxybutanedioic acid;3-(dimethylcarbamoylimino)-1,1-dimethylurea?
The canonical SMILES for 2,3-dihydroxybutanedioic acid;3-(dimethylcarbamoylimino)-1,1-dimethylurea is CN(C)C(=O)N=NC(=O)N(C)C.O=C(O)C(O)C(O)C(=O)O.
What is the InChIKey of 2,3-dihydroxybutanedioic acid;3-(dimethylcarbamoylimino)-1,1-dimethylurea?
The InChIKey is ZKURCKQYPHQLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O2.C4H6O6/c1-9(2)5(11)7-8-6(12)10(3)4;5-1(3(7)8)2(6)4(9)10/h1-4H3;1-2,5-6H,(H,7,8)(H,9,10).
What are the key properties of 2,3-dihydroxybutanedioic acid;3-(dimethylcarbamoylimino)-1,1-dimethylurea?
2,3-dihydroxybutanedioic acid;3-(dimethylcarbamoylimino)-1,1-dimethylurea has a molecular weight of 322.27 g/mol, XLogP of -1.32, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxybutanedioic acid;3-(dimethylcarbamoylimino)-1,1-dimethylurea is sourced from PubChem (CID 87816587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).