(3-amino-2-hydroxypropyl)-butylphosphinic acid

C7H18NO3P — CID 10219796

IUPAC(3-amino-2-hydroxypropyl)-butylphosphinic acid
SMILESCCCCP(=O)(O)CC(O)CN
InChIInChI=1S/C7H18NO3P/c1-2-3-4-12(10,11)6-7(9)5-8/h7,9H,2-6,8H2,1H3,(H,10,11)
InChIKeyWLECPZJERMBRKY-UHFFFAOYSA-N
MW195.20 g/mol
LogP0.38
Rot. Bonds6

About (3-amino-2-hydroxypropyl)-butylphosphinic acid

(3-amino-2-hydroxypropyl)-butylphosphinic acid (PubChem CID 10219796) has the molecular formula C7H18NO3P and a molecular weight of 195.20 g/mol. Its IUPAC name is (3-amino-2-hydroxypropyl)-butylphosphinic acid.

Molecular Properties

Compound Name(3-amino-2-hydroxypropyl)-butylphosphinic acid
PubChem CID10219796
Molecular FormulaC7H18NO3P
Molecular Weight195.20 g/mol
Exact Mass195.10
IUPAC Name(3-amino-2-hydroxypropyl)-butylphosphinic acid
SMILESCCCCP(=O)(O)CC(O)CN
InChIInChI=1S/C7H18NO3P/c1-2-3-4-12(10,11)6-7(9)5-8/h7,9H,2-6,8H2,1H3,(H,10,11)
InChIKeyWLECPZJERMBRKY-UHFFFAOYSA-N
XLogP0.38
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-amino-2-hydroxypropyl)-butylphosphinic acid?
The IUPAC name of (3-amino-2-hydroxypropyl)-butylphosphinic acid (CID 10219796) is (3-amino-2-hydroxypropyl)-butylphosphinic acid.
What is the SMILES notation for (3-amino-2-hydroxypropyl)-butylphosphinic acid?
The canonical SMILES for (3-amino-2-hydroxypropyl)-butylphosphinic acid is CCCCP(=O)(O)CC(O)CN.
What is the InChIKey of (3-amino-2-hydroxypropyl)-butylphosphinic acid?
The InChIKey is WLECPZJERMBRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18NO3P/c1-2-3-4-12(10,11)6-7(9)5-8/h7,9H,2-6,8H2,1H3,(H,10,11).
What are the key properties of (3-amino-2-hydroxypropyl)-butylphosphinic acid?
(3-amino-2-hydroxypropyl)-butylphosphinic acid has a molecular weight of 195.20 g/mol, XLogP of 0.38, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-hydroxypropyl)-butylphosphinic acid is sourced from PubChem (CID 10219796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).