(3-amino-1-hydroxypropyl)-methylphosphinic acid

C4H12NO3P — CID 10351876

IUPAC(3-amino-1-hydroxypropyl)-methylphosphinic acid
SMILESCP(=O)(O)C(O)CCN
InChIInChI=1S/C4H12NO3P/c1-9(7,8)4(6)2-3-5/h4,6H,2-3,5H2,1H3,(H,7,8)
InChIKeyVHBRTSZUHRQZQW-UHFFFAOYSA-N
MW153.12 g/mol
LogP-0.45
Rot. Bonds3

About (3-amino-1-hydroxypropyl)-methylphosphinic acid

(3-amino-1-hydroxypropyl)-methylphosphinic acid (PubChem CID 10351876) has the molecular formula C4H12NO3P and a molecular weight of 153.12 g/mol. Its IUPAC name is (3-amino-1-hydroxypropyl)-methylphosphinic acid.

Molecular Properties

Compound Name(3-amino-1-hydroxypropyl)-methylphosphinic acid
PubChem CID10351876
Molecular FormulaC4H12NO3P
Molecular Weight153.12 g/mol
Exact Mass153.06
IUPAC Name(3-amino-1-hydroxypropyl)-methylphosphinic acid
SMILESCP(=O)(O)C(O)CCN
InChIInChI=1S/C4H12NO3P/c1-9(7,8)4(6)2-3-5/h4,6H,2-3,5H2,1H3,(H,7,8)
InChIKeyVHBRTSZUHRQZQW-UHFFFAOYSA-N
XLogP-0.45
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.12
LogP ≤ 5-0.45
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-1-hydroxypropyl)-methylphosphinic acid?
The IUPAC name of (3-amino-1-hydroxypropyl)-methylphosphinic acid (CID 10351876) is (3-amino-1-hydroxypropyl)-methylphosphinic acid.
What is the SMILES notation for (3-amino-1-hydroxypropyl)-methylphosphinic acid?
The canonical SMILES for (3-amino-1-hydroxypropyl)-methylphosphinic acid is CP(=O)(O)C(O)CCN.
What is the InChIKey of (3-amino-1-hydroxypropyl)-methylphosphinic acid?
The InChIKey is VHBRTSZUHRQZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12NO3P/c1-9(7,8)4(6)2-3-5/h4,6H,2-3,5H2,1H3,(H,7,8).
What are the key properties of (3-amino-1-hydroxypropyl)-methylphosphinic acid?
(3-amino-1-hydroxypropyl)-methylphosphinic acid has a molecular weight of 153.12 g/mol, XLogP of -0.45, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1-hydroxypropyl)-methylphosphinic acid is sourced from PubChem (CID 10351876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).