N'-(4-amino-2,3-dihydroxy-4-oxobutanoyl)-2,3-dihydroxybutanediamide

C8H13N3O8 — CID 178066084

IUPACN'-(4-amino-2,3-dihydroxy-4-oxobutanoyl)-2,3-dihydroxybutanediamide
SMILESNC(=O)C(O)C(O)C(=O)NC(=O)C(O)C(O)C(N)=O
InChIInChI=1S/C8H13N3O8/c9-5(16)1(12)3(14)7(18)11-8(19)4(15)2(13)6(10)17/h1-4,12-15H,(H2,9,16)(H2,10,17)(H,11,18,19)
InChIKeyCYCCOLVOLGMUBB-UHFFFAOYSA-N
MW279.21 g/mol
LogP-5.96
Rot. Bonds6

About N'-(4-amino-2,3-dihydroxy-4-oxobutanoyl)-2,3-dihydroxybutanediamide

N'-(4-amino-2,3-dihydroxy-4-oxobutanoyl)-2,3-dihydroxybutanediamide (PubChem CID 178066084) has the molecular formula C8H13N3O8 and a molecular weight of 279.21 g/mol. Its IUPAC name is N'-(4-amino-2,3-dihydroxy-4-oxobutanoyl)-2,3-dihydroxybutanediamide.

Molecular Properties

Compound NameN'-(4-amino-2,3-dihydroxy-4-oxobutanoyl)-2,3-dihydroxybutanediamide
PubChem CID178066084
Molecular FormulaC8H13N3O8
Molecular Weight279.21 g/mol
Exact Mass279.07
IUPAC NameN'-(4-amino-2,3-dihydroxy-4-oxobutanoyl)-2,3-dihydroxybutanediamide
SMILESNC(=O)C(O)C(O)C(=O)NC(=O)C(O)C(O)C(N)=O
InChIInChI=1S/C8H13N3O8/c9-5(16)1(12)3(14)7(18)11-8(19)4(15)2(13)6(10)17/h1-4,12-15H,(H2,9,16)(H2,10,17)(H,11,18,19)
InChIKeyCYCCOLVOLGMUBB-UHFFFAOYSA-N
XLogP-5.96
TPSA213.27 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.21
LogP ≤ 5-5.96
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N'-(4-amino-2,3-dihydroxy-4-oxobutanoyl)-2,3-dihydroxybutanediamide?
The IUPAC name of N'-(4-amino-2,3-dihydroxy-4-oxobutanoyl)-2,3-dihydroxybutanediamide (CID 178066084) is N'-(4-amino-2,3-dihydroxy-4-oxobutanoyl)-2,3-dihydroxybutanediamide.
What is the SMILES notation for N'-(4-amino-2,3-dihydroxy-4-oxobutanoyl)-2,3-dihydroxybutanediamide?
The canonical SMILES for N'-(4-amino-2,3-dihydroxy-4-oxobutanoyl)-2,3-dihydroxybutanediamide is NC(=O)C(O)C(O)C(=O)NC(=O)C(O)C(O)C(N)=O.
What is the InChIKey of N'-(4-amino-2,3-dihydroxy-4-oxobutanoyl)-2,3-dihydroxybutanediamide?
The InChIKey is CYCCOLVOLGMUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O8/c9-5(16)1(12)3(14)7(18)11-8(19)4(15)2(13)6(10)17/h1-4,12-15H,(H2,9,16)(H2,10,17)(H,11,18,19).
What are the key properties of N'-(4-amino-2,3-dihydroxy-4-oxobutanoyl)-2,3-dihydroxybutanediamide?
N'-(4-amino-2,3-dihydroxy-4-oxobutanoyl)-2,3-dihydroxybutanediamide has a molecular weight of 279.21 g/mol, XLogP of -5.96, 6 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-amino-2,3-dihydroxy-4-oxobutanoyl)-2,3-dihydroxybutanediamide is sourced from PubChem (CID 178066084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).