Aminomethyl-(3-methoxy-3-oxopropyl)phosphinic acid

Name: Aminomethyl-(3-methoxy-3-oxopropyl)phosphinic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₅H₁₂NO₄P — CID 15757545

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACaminomethyl-(3-methoxy-3-oxopropyl)phosphinic acid

SMILESCOC(=O)CCP(=O)(O)CN

InChIInChI=1S/C5H12NO4P/c1-10-5(7)2-3-11(8,9)4-6/h2-4,6H2,1H3,(H,8,9)

InChIKeyBLFRMSYIFJIMLV-UHFFFAOYSA-N

MW181.13 g/mol

LogP-0.26

Rot. Bonds4

About Aminomethyl-(3-methoxy-3-oxopropyl)phosphinic acid

Aminomethyl-(3-methoxy-3-oxopropyl)phosphinic acid (PubChem CID 15757545) has the molecular formula C₅H₁₂NO₄P and a molecular weight of 181.13 g/mol. Its IUPAC name is aminomethyl-(3-methoxy-3-oxopropyl)phosphinic acid.

Molecular Properties

Compound Name	Aminomethyl-(3-methoxy-3-oxopropyl)phosphinic acid
PubChem CID	15757545
Molecular Formula	C₅H₁₂NO₄P
Molecular Weight	181.13 g/mol
Exact Mass	181.05
IUPAC Name	aminomethyl-(3-methoxy-3-oxopropyl)phosphinic acid
SMILES	COC(=O)CCP(=O)(O)CN
InChI	InChI=1S/C5H12NO4P/c1-10-5(7)2-3-11(8,9)4-6/h2-4,6H2,1H3,(H,8,9)
InChIKey	BLFRMSYIFJIMLV-UHFFFAOYSA-N
XLogP	-0.26
TPSA	89.62 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	11
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	181.13
LogP ≤ 5	-0.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Aminomethyl-(3-methoxy-3-oxopropyl)phosphinic acid?

The IUPAC name of Aminomethyl-(3-methoxy-3-oxopropyl)phosphinic acid (CID 15757545) is aminomethyl-(3-methoxy-3-oxopropyl)phosphinic acid.

What is the SMILES notation for Aminomethyl-(3-methoxy-3-oxopropyl)phosphinic acid?

The canonical SMILES for Aminomethyl-(3-methoxy-3-oxopropyl)phosphinic acid is COC(=O)CCP(=O)(O)CN.

What is the InChIKey of Aminomethyl-(3-methoxy-3-oxopropyl)phosphinic acid?

The InChIKey is BLFRMSYIFJIMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO4P/c1-10-5(7)2-3-11(8,9)4-6/h2-4,6H2,1H3,(H,8,9).

What are the key properties of Aminomethyl-(3-methoxy-3-oxopropyl)phosphinic acid?

Aminomethyl-(3-methoxy-3-oxopropyl)phosphinic acid has a molecular weight of 181.13 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Aminomethyl-(3-methoxy-3-oxopropyl)phosphinic acid is sourced from PubChem (CID 15757545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 15757545 — identifiers, structure, computed properties (public domain)

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