(propan-2-ylamino)methylphosphonic acid

C4H12NO3P — CID 13144267

IUPAC(propan-2-ylamino)methylphosphonic acid
SMILESCC(C)NCP(=O)(O)O
InChIInChI=1S/C4H12NO3P/c1-4(2)5-3-9(6,7)8/h4-5H,3H2,1-2H3,(H2,6,7,8)
InChIKeyPNLWDYIWVDTPPO-UHFFFAOYSA-N
MW153.12 g/mol
LogP0.12
Rot. Bonds3

About (propan-2-ylamino)methylphosphonic acid

(propan-2-ylamino)methylphosphonic acid (PubChem CID 13144267) has the molecular formula C4H12NO3P and a molecular weight of 153.12 g/mol. Its IUPAC name is (propan-2-ylamino)methylphosphonic acid.

Molecular Properties

Compound Name(propan-2-ylamino)methylphosphonic acid
PubChem CID13144267
Molecular FormulaC4H12NO3P
Molecular Weight153.12 g/mol
Exact Mass153.06
IUPAC Name(propan-2-ylamino)methylphosphonic acid
SMILESCC(C)NCP(=O)(O)O
InChIInChI=1S/C4H12NO3P/c1-4(2)5-3-9(6,7)8/h4-5H,3H2,1-2H3,(H2,6,7,8)
InChIKeyPNLWDYIWVDTPPO-UHFFFAOYSA-N
XLogP0.12
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.12
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (propan-2-ylamino)methylphosphonic acid 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 (propan-2-ylamino)methylphosphonic acid?
The IUPAC name of (propan-2-ylamino)methylphosphonic acid (CID 13144267) is (propan-2-ylamino)methylphosphonic acid.
What is the SMILES notation for (propan-2-ylamino)methylphosphonic acid?
The canonical SMILES for (propan-2-ylamino)methylphosphonic acid is CC(C)NCP(=O)(O)O.
What is the InChIKey of (propan-2-ylamino)methylphosphonic acid?
The InChIKey is PNLWDYIWVDTPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12NO3P/c1-4(2)5-3-9(6,7)8/h4-5H,3H2,1-2H3,(H2,6,7,8).
What are the key properties of (propan-2-ylamino)methylphosphonic acid?
(propan-2-ylamino)methylphosphonic acid has a molecular weight of 153.12 g/mol, XLogP of 0.12, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (propan-2-ylamino)methylphosphonic acid is sourced from PubChem (CID 13144267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).