(3-amino-2-oxopropyl)-butylphosphinic acid;hydrobromide

C7H17BrNO3P — CID 86746588

IUPAC(3-amino-2-oxopropyl)-butylphosphinic acid;hydrobromide
SMILESBr.CCCCP(=O)(O)CC(=O)CN
InChIInChI=1S/C7H16NO3P.BrH/c1-2-3-4-12(10,11)6-7(9)5-8;/h2-6,8H2,1H3,(H,10,11);1H
InChIKeyCRZCSJWVFAVMSK-UHFFFAOYSA-N
MW274.09 g/mol
LogP1.16
Rot. Bonds6

About (3-amino-2-oxopropyl)-butylphosphinic acid;hydrobromide

(3-amino-2-oxopropyl)-butylphosphinic acid;hydrobromide (PubChem CID 86746588) has the molecular formula C7H17BrNO3P and a molecular weight of 274.09 g/mol. Its IUPAC name is (3-amino-2-oxopropyl)-butylphosphinic acid;hydrobromide.

Molecular Properties

Compound Name(3-amino-2-oxopropyl)-butylphosphinic acid;hydrobromide
PubChem CID86746588
Molecular FormulaC7H17BrNO3P
Molecular Weight274.09 g/mol
Exact Mass273.01
IUPAC Name(3-amino-2-oxopropyl)-butylphosphinic acid;hydrobromide
SMILESBr.CCCCP(=O)(O)CC(=O)CN
InChIInChI=1S/C7H16NO3P.BrH/c1-2-3-4-12(10,11)6-7(9)5-8;/h2-6,8H2,1H3,(H,10,11);1H
InChIKeyCRZCSJWVFAVMSK-UHFFFAOYSA-N
XLogP1.16
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.09
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3-amino-2-oxopropyl)-butylphosphinic acid;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-oxopropyl)-butylphosphinic acid;hydrobromide?
The IUPAC name of (3-amino-2-oxopropyl)-butylphosphinic acid;hydrobromide (CID 86746588) is (3-amino-2-oxopropyl)-butylphosphinic acid;hydrobromide.
What is the SMILES notation for (3-amino-2-oxopropyl)-butylphosphinic acid;hydrobromide?
The canonical SMILES for (3-amino-2-oxopropyl)-butylphosphinic acid;hydrobromide is Br.CCCCP(=O)(O)CC(=O)CN.
What is the InChIKey of (3-amino-2-oxopropyl)-butylphosphinic acid;hydrobromide?
The InChIKey is CRZCSJWVFAVMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO3P.BrH/c1-2-3-4-12(10,11)6-7(9)5-8;/h2-6,8H2,1H3,(H,10,11);1H.
What are the key properties of (3-amino-2-oxopropyl)-butylphosphinic acid;hydrobromide?
(3-amino-2-oxopropyl)-butylphosphinic acid;hydrobromide has a molecular weight of 274.09 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-oxopropyl)-butylphosphinic acid;hydrobromide is sourced from PubChem (CID 86746588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).