(5R)-5-[[(1R)-4-carboxy-1-cyanobutyl]diazenyl]-5-cyanopentanoic acid

C12H16N4O4 — CID 54541594

IUPAC(5R)-5-[[(1R)-4-carboxy-1-cyanobutyl]diazenyl]-5-cyanopentanoic acid
SMILESN#C[C@@H](CCCC(=O)O)/N=N/[C@@H](C#N)CCCC(=O)O
InChIInChI=1S/C12H16N4O4/c13-7-9(3-1-5-11(17)18)15-16-10(8-14)4-2-6-12(19)20/h9-10H,1-6H2,(H,17,18)(H,19,20)/b16-15+/t9-,10-/m1/s1
InChIKeyZDOYNDCZIBYZNT-KKLPQOMKSA-N
MW280.28 g/mol
LogP1.73
Rot. Bonds10

About (5R)-5-[[(1R)-4-carboxy-1-cyanobutyl]diazenyl]-5-cyanopentanoic acid

(5R)-5-[[(1R)-4-carboxy-1-cyanobutyl]diazenyl]-5-cyanopentanoic acid (PubChem CID 54541594) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is (5R)-5-[[(1R)-4-carboxy-1-cyanobutyl]diazenyl]-5-cyanopentanoic acid.

Molecular Properties

Compound Name(5R)-5-[[(1R)-4-carboxy-1-cyanobutyl]diazenyl]-5-cyanopentanoic acid
PubChem CID54541594
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name(5R)-5-[[(1R)-4-carboxy-1-cyanobutyl]diazenyl]-5-cyanopentanoic acid
SMILESN#C[C@@H](CCCC(=O)O)/N=N/[C@@H](C#N)CCCC(=O)O
InChIInChI=1S/C12H16N4O4/c13-7-9(3-1-5-11(17)18)15-16-10(8-14)4-2-6-12(19)20/h9-10H,1-6H2,(H,17,18)(H,19,20)/b16-15+/t9-,10-/m1/s1
InChIKeyZDOYNDCZIBYZNT-KKLPQOMKSA-N
XLogP1.73
TPSA146.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.73
H-Bond Donors ≤ 52
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

5,5-dihydroxypentanoic acid
CID 57194054
5-[(4-carboxy-1-isocyanobutyl)diazenyl]-5-isocyanopentanoic acid
CID 87189778
5-cyano-6-ethoxy-6-oxohexanoic acid
CID 175412793
5,5-dibromopentanoic acid
CID 54289064
butanedioic acid;oxalonitrile
CID 175322559
CID 131872623
CID 131872623
2-isocyanohexanedioic acid
CID 70674090
oxalonitrile;pentanoic acid
CID 160836976
5-isothiocyanatohexanoic acid
CID 87482879
hydrazine;pentanedioic acid;dihydrate
CID 172730564
azane;decanedioic acid;tetrahydrate
CID 175249510
5-aminohept-6-ynoic acid
CID 71374122

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[(1R)-4-carboxy-1-cyanobutyl]diazenyl]-5-cyanopentanoic acid?
The IUPAC name of (5R)-5-[[(1R)-4-carboxy-1-cyanobutyl]diazenyl]-5-cyanopentanoic acid (CID 54541594) is (5R)-5-[[(1R)-4-carboxy-1-cyanobutyl]diazenyl]-5-cyanopentanoic acid.
What is the SMILES notation for (5R)-5-[[(1R)-4-carboxy-1-cyanobutyl]diazenyl]-5-cyanopentanoic acid?
The canonical SMILES for (5R)-5-[[(1R)-4-carboxy-1-cyanobutyl]diazenyl]-5-cyanopentanoic acid is N#C[C@@H](CCCC(=O)O)/N=N/[C@@H](C#N)CCCC(=O)O.
What is the InChIKey of (5R)-5-[[(1R)-4-carboxy-1-cyanobutyl]diazenyl]-5-cyanopentanoic acid?
The InChIKey is ZDOYNDCZIBYZNT-KKLPQOMKSA-N. The full InChI is InChI=1S/C12H16N4O4/c13-7-9(3-1-5-11(17)18)15-16-10(8-14)4-2-6-12(19)20/h9-10H,1-6H2,(H,17,18)(H,19,20)/b16-15+/t9-,10-/m1/s1.
What are the key properties of (5R)-5-[[(1R)-4-carboxy-1-cyanobutyl]diazenyl]-5-cyanopentanoic acid?
(5R)-5-[[(1R)-4-carboxy-1-cyanobutyl]diazenyl]-5-cyanopentanoic acid has a molecular weight of 280.28 g/mol, XLogP of 1.73, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[(1R)-4-carboxy-1-cyanobutyl]diazenyl]-5-cyanopentanoic acid is sourced from PubChem (CID 54541594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).