butanedioic acid;ethane-1,2-diamine;pentanedioic acid

C11H22N2O8 — CID 158203202

IUPACbutanedioic acid;ethane-1,2-diamine;pentanedioic acid
SMILESNCCN.O=C(O)CCC(=O)O.O=C(O)CCCC(=O)O
InChIInChI=1S/C5H8O4.C4H6O4.C2H8N2/c6-4(7)2-1-3-5(8)9;5-3(6)1-2-4(7)8;3-1-2-4/h1-3H2,(H,6,7)(H,8,9);1-2H2,(H,5,6)(H,7,8);1-4H2
InChIKeyGBENDPZVODDLPT-UHFFFAOYSA-N
MW310.30 g/mol
LogP-0.83
Rot. Bonds8

About butanedioic acid;ethane-1,2-diamine;pentanedioic acid

butanedioic acid;ethane-1,2-diamine;pentanedioic acid (PubChem CID 158203202) has the molecular formula C11H22N2O8 and a molecular weight of 310.30 g/mol. Its IUPAC name is butanedioic acid;ethane-1,2-diamine;pentanedioic acid.

Molecular Properties

Compound Namebutanedioic acid;ethane-1,2-diamine;pentanedioic acid
PubChem CID158203202
Molecular FormulaC11H22N2O8
Molecular Weight310.30 g/mol
Exact Mass310.14
IUPAC Namebutanedioic acid;ethane-1,2-diamine;pentanedioic acid
SMILESNCCN.O=C(O)CCC(=O)O.O=C(O)CCCC(=O)O
InChIInChI=1S/C5H8O4.C4H6O4.C2H8N2/c6-4(7)2-1-3-5(8)9;5-3(6)1-2-4(7)8;3-1-2-4/h1-3H2,(H,6,7)(H,8,9);1-2H2,(H,5,6)(H,7,8);1-4H2
InChIKeyGBENDPZVODDLPT-UHFFFAOYSA-N
XLogP-0.83
TPSA201.24 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.30
LogP ≤ 5-0.83
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

bis(ethane-1,2-diamine);hexanedioic acid
CID 88762987
azane;bis(butanedioic acid);ethane-1,2-diamine
CID 173216605
CID 173009716
CID 173009716
bis(butanedioic acid);ethane-1,2-diamine;zinc
CID 173009719
4-aminobutanoic acid;dihydrochloride
CID 87111723
hydrazine;pentanedioic acid;dihydrate
CID 172730564
bis(3-aminopropanoic acid);azanide;bis(butanedioic acid);tris(dichloroplatinum(2+));bis(pentanedioic acid)
CID 159935157
erbium;pentanedioic acid
CID 87931794
azane;bis(pentanedioic acid)
CID 138524332
pentanedioic acid;stibane
CID 173344083
CID 87067075
CID 87067075
potassium;4-aminobutanoic acid;hydride
CID 173078667

Frequently Asked Questions

What is the IUPAC name of butanedioic acid;ethane-1,2-diamine;pentanedioic acid?
The IUPAC name of butanedioic acid;ethane-1,2-diamine;pentanedioic acid (CID 158203202) is butanedioic acid;ethane-1,2-diamine;pentanedioic acid.
What is the SMILES notation for butanedioic acid;ethane-1,2-diamine;pentanedioic acid?
The canonical SMILES for butanedioic acid;ethane-1,2-diamine;pentanedioic acid is NCCN.O=C(O)CCC(=O)O.O=C(O)CCCC(=O)O.
What is the InChIKey of butanedioic acid;ethane-1,2-diamine;pentanedioic acid?
The InChIKey is GBENDPZVODDLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O4.C4H6O4.C2H8N2/c6-4(7)2-1-3-5(8)9;5-3(6)1-2-4(7)8;3-1-2-4/h1-3H2,(H,6,7)(H,8,9);1-2H2,(H,5,6)(H,7,8);1-4H2.
What are the key properties of butanedioic acid;ethane-1,2-diamine;pentanedioic acid?
butanedioic acid;ethane-1,2-diamine;pentanedioic acid has a molecular weight of 310.30 g/mol, XLogP of -0.83, 8 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butanedioic acid;ethane-1,2-diamine;pentanedioic acid is sourced from PubChem (CID 158203202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).