bis(butanedioic acid);hydroxylamine

C8H15NO9 — CID 174855273

IUPACbis(butanedioic acid);hydroxylamine
SMILESNO.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O
InChIInChI=1S/2C4H6O4.H3NO/c2*5-3(6)1-2-4(7)8;1-2/h2*1-2H2,(H,5,6)(H,7,8);2H,1H2
InChIKeyURQHQZSXXLAJAX-UHFFFAOYSA-N
MW269.21 g/mol
LogP-0.79
Rot. Bonds6

About bis(butanedioic acid);hydroxylamine

bis(butanedioic acid);hydroxylamine (PubChem CID 174855273) has the molecular formula C8H15NO9 and a molecular weight of 269.21 g/mol. Its IUPAC name is bis(butanedioic acid);hydroxylamine.

Molecular Properties

Compound Namebis(butanedioic acid);hydroxylamine
PubChem CID174855273
Molecular FormulaC8H15NO9
Molecular Weight269.21 g/mol
Exact Mass269.07
IUPAC Namebis(butanedioic acid);hydroxylamine
SMILESNO.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O
InChIInChI=1S/2C4H6O4.H3NO/c2*5-3(6)1-2-4(7)8;1-2/h2*1-2H2,(H,5,6)(H,7,8);2H,1H2
InChIKeyURQHQZSXXLAJAX-UHFFFAOYSA-N
XLogP-0.79
TPSA195.45 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.21
LogP ≤ 5-0.79
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(butanedioic acid);carbonic acid
CID 159577506
butanedioic acid;hydrochloride
CID 87113713
bis(butanedioic acid);silane
CID 173419629
trisodium;butanedioic acid
CID 175698490
azane;butanedioic acid
CID 87070561
azane;butanedioic acid;dihydrate
CID 141112137
butanedioic acid;ethene
CID 87532899
butanedioic acid;zinc;dihydrate
CID 175420905
butanedioic acid;zinc;dihydrate
CID 175091968
azane;bis(butanedioic acid);ethane-1,2-diamine
CID 173216605
CID 173009716
CID 173009716
acetamide;butanedioic acid
CID 175267619

Frequently Asked Questions

What is the IUPAC name of bis(butanedioic acid);hydroxylamine?
The IUPAC name of bis(butanedioic acid);hydroxylamine (CID 174855273) is bis(butanedioic acid);hydroxylamine.
What is the SMILES notation for bis(butanedioic acid);hydroxylamine?
The canonical SMILES for bis(butanedioic acid);hydroxylamine is NO.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.
What is the InChIKey of bis(butanedioic acid);hydroxylamine?
The InChIKey is URQHQZSXXLAJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H6O4.H3NO/c2*5-3(6)1-2-4(7)8;1-2/h2*1-2H2,(H,5,6)(H,7,8);2H,1H2.
What are the key properties of bis(butanedioic acid);hydroxylamine?
bis(butanedioic acid);hydroxylamine has a molecular weight of 269.21 g/mol, XLogP of -0.79, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(butanedioic acid);hydroxylamine is sourced from PubChem (CID 174855273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).