azane;butanedioic acid

C4H9NO4 — CID 87070561

IUPACazane;butanedioic acid
SMILESN.O=C(O)CCC(=O)O
InChIInChI=1S/C4H6O4.H3N/c5-3(6)1-2-4(7)8;/h1-2H2,(H,5,6)(H,7,8);1H3
InChIKeyZBALFGIGLVIXBV-UHFFFAOYSA-N
MW135.12 g/mol
LogP0.10
Rot. Bonds3

About azane;butanedioic acid

azane;butanedioic acid (PubChem CID 87070561) has the molecular formula C4H9NO4 and a molecular weight of 135.12 g/mol. Its IUPAC name is azane;butanedioic acid.

Molecular Properties

Compound Nameazane;butanedioic acid
PubChem CID87070561
Molecular FormulaC4H9NO4
Molecular Weight135.12 g/mol
Exact Mass135.05
IUPAC Nameazane;butanedioic acid
SMILESN.O=C(O)CCC(=O)O
InChIInChI=1S/C4H6O4.H3N/c5-3(6)1-2-4(7)8;/h1-2H2,(H,5,6)(H,7,8);1H3
InChIKeyZBALFGIGLVIXBV-UHFFFAOYSA-N
XLogP0.10
TPSA109.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.12
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

azane;butanedioic acid;dihydrate
CID 141112137
azane;butanedioic acid;methanol
CID 131741728
bis(butanedioic acid);carbonic acid
CID 159577506
bis(butanedioic acid);silane
CID 173419629
butanedioic acid;hydrochloride
CID 87113713
trisodium;butanedioic acid
CID 175698490
bis(butanedioic acid);hydroxylamine
CID 174855273
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
azane;butanedioic acid;ethanol
CID 87975822

Frequently Asked Questions

What is the IUPAC name of azane;butanedioic acid?
The IUPAC name of azane;butanedioic acid (CID 87070561) is azane;butanedioic acid.
What is the SMILES notation for azane;butanedioic acid?
The canonical SMILES for azane;butanedioic acid is N.O=C(O)CCC(=O)O.
What is the InChIKey of azane;butanedioic acid?
The InChIKey is ZBALFGIGLVIXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O4.H3N/c5-3(6)1-2-4(7)8;/h1-2H2,(H,5,6)(H,7,8);1H3.
What are the key properties of azane;butanedioic acid?
azane;butanedioic acid has a molecular weight of 135.12 g/mol, XLogP of 0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;butanedioic acid is sourced from PubChem (CID 87070561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).