potassium;4-(bromoamino)-4-oxobutanoic acid;hydride

C4H7BrKNO3 — CID 173348055

IUPACpotassium;4-(bromoamino)-4-oxobutanoic acid;hydride
SMILESO=C(O)CCC(=O)NBr.[H-].[K+]
InChIInChI=1S/C4H6BrNO3.K.H/c5-6-3(7)1-2-4(8)9;;/h1-2H2,(H,6,7)(H,8,9);;/q;+1;-1
InChIKeyBDORWSZEYXVRPR-UHFFFAOYSA-N
MW236.11 g/mol
LogP-2.61
Rot. Bonds3

About potassium;4-(bromoamino)-4-oxobutanoic acid;hydride

potassium;4-(bromoamino)-4-oxobutanoic acid;hydride (PubChem CID 173348055) has the molecular formula C4H7BrKNO3 and a molecular weight of 236.11 g/mol. Its IUPAC name is potassium;4-(bromoamino)-4-oxobutanoic acid;hydride.

Molecular Properties

Compound Namepotassium;4-(bromoamino)-4-oxobutanoic acid;hydride
PubChem CID173348055
Molecular FormulaC4H7BrKNO3
Molecular Weight236.11 g/mol
Exact Mass234.92
IUPAC Namepotassium;4-(bromoamino)-4-oxobutanoic acid;hydride
SMILESO=C(O)CCC(=O)NBr.[H-].[K+]
InChIInChI=1S/C4H6BrNO3.K.H/c5-6-3(7)1-2-4(8)9;;/h1-2H2,(H,6,7)(H,8,9);;/q;+1;-1
InChIKeyBDORWSZEYXVRPR-UHFFFAOYSA-N
XLogP-2.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.11
LogP ≤ 5-2.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-bromo-3-chloropropanamide
CID 130655792
sodium;butanedioic acid;hydride;trihydrate
CID 173259329
sodium;butanedioic acid;hydride;iron
CID 173304011
butanedioic acid;hydrochloride
CID 87113713
bis(butanedioic acid);silane
CID 173419629
bis(butanedioic acid);carbonic acid
CID 159577506
trisodium;butanedioic acid
CID 175698490
azane;butanedioic acid
CID 87070561
4-(carboniodidoylamino)-4-oxobutanoic acid
CID 88991894
bis(butanedioic acid);hydroxylamine
CID 174855273
butanedioic acid;ethene
CID 87532899
azane;butanedioic acid;dihydrate
CID 141112137

Frequently Asked Questions

What is the IUPAC name of potassium;4-(bromoamino)-4-oxobutanoic acid;hydride?
The IUPAC name of potassium;4-(bromoamino)-4-oxobutanoic acid;hydride (CID 173348055) is potassium;4-(bromoamino)-4-oxobutanoic acid;hydride.
What is the SMILES notation for potassium;4-(bromoamino)-4-oxobutanoic acid;hydride?
The canonical SMILES for potassium;4-(bromoamino)-4-oxobutanoic acid;hydride is O=C(O)CCC(=O)NBr.[H-].[K+].
What is the InChIKey of potassium;4-(bromoamino)-4-oxobutanoic acid;hydride?
The InChIKey is BDORWSZEYXVRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6BrNO3.K.H/c5-6-3(7)1-2-4(8)9;;/h1-2H2,(H,6,7)(H,8,9);;/q;+1;-1.
What are the key properties of potassium;4-(bromoamino)-4-oxobutanoic acid;hydride?
potassium;4-(bromoamino)-4-oxobutanoic acid;hydride has a molecular weight of 236.11 g/mol, XLogP of -2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;4-(bromoamino)-4-oxobutanoic acid;hydride is sourced from PubChem (CID 173348055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).