2-aminopentanedioic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene;hydrazine

C11H17N3O4 — CID 70434290

IUPAC2-aminopentanedioic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene;hydrazine
SMILESNC(CCC(=O)O)C(=O)O.NN.c1cc2cc-2c1
InChIInChI=1S/C6H4.C5H9NO4.H4N2/c1-2-5-4-6(5)3-1;6-3(5(9)10)1-2-4(7)8;1-2/h1-4H;3H,1-2,6H2,(H,7,8)(H,9,10);1-2H2
InChIKeyKSJPPPYPEXPOPH-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.25
Rot. Bonds4

About 2-aminopentanedioic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene;hydrazine

2-aminopentanedioic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene;hydrazine (PubChem CID 70434290) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-aminopentanedioic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene;hydrazine.

Molecular Properties

Compound Name2-aminopentanedioic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene;hydrazine
PubChem CID70434290
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name2-aminopentanedioic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene;hydrazine
SMILESNC(CCC(=O)O)C(=O)O.NN.c1cc2cc-2c1
InChIInChI=1S/C6H4.C5H9NO4.H4N2/c1-2-5-4-6(5)3-1;6-3(5(9)10)1-2-4(7)8;1-2/h1-4H;3H,1-2,6H2,(H,7,8)(H,9,10);1-2H2
InChIKeyKSJPPPYPEXPOPH-UHFFFAOYSA-N
XLogP-0.25
TPSA152.66 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-aminopentanedioic acid;benzene
CID 161035359
2-aminopentanoic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene
CID 68937366
2-aminopentanedioic acid;hydrazine;hydrate
CID 174836274
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
2-amino-3-hydroxypropanoic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene
CID 70461893
(2S)-2-aminopentanedioic acid;toluene
CID 67117620
(2R)-2-aminopentanedioic acid;hydrate
CID 87451212
(2S)-2-aminopentanedioic acid;hydrobromide
CID 87753976
(2S)-2-aminopentanedioic acid;heptahydrate
CID 156766287
2-aminopentanedioic acid;hexahydrate
CID 173177476
2-aminopentanedioic acid;bis(butanedioic acid)
CID 174955338

Frequently Asked Questions

What is the IUPAC name of 2-aminopentanedioic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene;hydrazine?
The IUPAC name of 2-aminopentanedioic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene;hydrazine (CID 70434290) is 2-aminopentanedioic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene;hydrazine.
What is the SMILES notation for 2-aminopentanedioic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene;hydrazine?
The canonical SMILES for 2-aminopentanedioic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene;hydrazine is NC(CCC(=O)O)C(=O)O.NN.c1cc2cc-2c1.
What is the InChIKey of 2-aminopentanedioic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene;hydrazine?
The InChIKey is KSJPPPYPEXPOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.C5H9NO4.H4N2/c1-2-5-4-6(5)3-1;6-3(5(9)10)1-2-4(7)8;1-2/h1-4H;3H,1-2,6H2,(H,7,8)(H,9,10);1-2H2.
What are the key properties of 2-aminopentanedioic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene;hydrazine?
2-aminopentanedioic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene;hydrazine has a molecular weight of 255.27 g/mol, XLogP of -0.25, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopentanedioic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene;hydrazine is sourced from PubChem (CID 70434290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).