2-aminopentanedioic acid;hexanedihydrazide

C11H23N5O6 — CID 175294666

IUPAC2-aminopentanedioic acid;hexanedihydrazide
SMILESNC(CCC(=O)O)C(=O)O.NNC(=O)CCCCC(=O)NN
InChIInChI=1S/C6H14N4O2.C5H9NO4/c7-9-5(11)3-1-2-4-6(12)10-8;6-3(5(9)10)1-2-4(7)8/h1-4,7-8H2,(H,9,11)(H,10,12);3H,1-2,6H2,(H,7,8)(H,9,10)
InChIKeyORTHGAJPSOWJDZ-UHFFFAOYSA-N
MW321.33 g/mol
LogP-2.21
Rot. Bonds9

About 2-aminopentanedioic acid;hexanedihydrazide

2-aminopentanedioic acid;hexanedihydrazide (PubChem CID 175294666) has the molecular formula C11H23N5O6 and a molecular weight of 321.33 g/mol. Its IUPAC name is 2-aminopentanedioic acid;hexanedihydrazide.

Molecular Properties

Compound Name2-aminopentanedioic acid;hexanedihydrazide
PubChem CID175294666
Molecular FormulaC11H23N5O6
Molecular Weight321.33 g/mol
Exact Mass321.16
IUPAC Name2-aminopentanedioic acid;hexanedihydrazide
SMILESNC(CCC(=O)O)C(=O)O.NNC(=O)CCCCC(=O)NN
InChIInChI=1S/C6H14N4O2.C5H9NO4/c7-9-5(11)3-1-2-4-6(12)10-8;6-3(5(9)10)1-2-4(7)8/h1-4,7-8H2,(H,9,11)(H,10,12);3H,1-2,6H2,(H,7,8)(H,9,10)
InChIKeyORTHGAJPSOWJDZ-UHFFFAOYSA-N
XLogP-2.21
TPSA210.86 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.33
LogP ≤ 5-2.21
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
2-aminopentanedioic acid;bis(butanedioic acid)
CID 174955338
(2S)-2-aminopentanedioic acid;chromium
CID 87792997
(2S)-2-aminopentanedioic acid;heptahydrate
CID 156766287
(2R)-2-aminopentanedioic acid;hydrate
CID 87451212
(2S)-2-aminopentanedioic acid;hydrobromide
CID 87753976
2-aminopentanedioic acid;hexahydrate
CID 173177476
(2S)-2-aminopentanedioic acid;trihydrochloride
CID 140679884
(2R)-2-aminopentanedioic acid;formamide
CID 87175197
copper;zinc;2-aminopentanedioic acid
CID 24821508
CID 87237505
CID 87237505

Frequently Asked Questions

What is the IUPAC name of 2-aminopentanedioic acid;hexanedihydrazide?
The IUPAC name of 2-aminopentanedioic acid;hexanedihydrazide (CID 175294666) is 2-aminopentanedioic acid;hexanedihydrazide.
What is the SMILES notation for 2-aminopentanedioic acid;hexanedihydrazide?
The canonical SMILES for 2-aminopentanedioic acid;hexanedihydrazide is NC(CCC(=O)O)C(=O)O.NNC(=O)CCCCC(=O)NN.
What is the InChIKey of 2-aminopentanedioic acid;hexanedihydrazide?
The InChIKey is ORTHGAJPSOWJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O2.C5H9NO4/c7-9-5(11)3-1-2-4-6(12)10-8;6-3(5(9)10)1-2-4(7)8/h1-4,7-8H2,(H,9,11)(H,10,12);3H,1-2,6H2,(H,7,8)(H,9,10).
What are the key properties of 2-aminopentanedioic acid;hexanedihydrazide?
2-aminopentanedioic acid;hexanedihydrazide has a molecular weight of 321.33 g/mol, XLogP of -2.21, 9 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopentanedioic acid;hexanedihydrazide is sourced from PubChem (CID 175294666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).