(propanoylamino)methylphosphonic acid

C4H10NO4P — CID 15675180

IUPAC(propanoylamino)methylphosphonic acid
SMILESCCC(=O)NCP(=O)(O)O
InChIInChI=1S/C4H10NO4P/c1-2-4(6)5-3-10(7,8)9/h2-3H2,1H3,(H,5,6)(H2,7,8,9)
InChIKeyCITYBLMEAOOQTA-UHFFFAOYSA-N
MW167.10 g/mol
LogP-0.35
Rot. Bonds3

About (propanoylamino)methylphosphonic acid

(propanoylamino)methylphosphonic acid (PubChem CID 15675180) has the molecular formula C4H10NO4P and a molecular weight of 167.10 g/mol. Its IUPAC name is (propanoylamino)methylphosphonic acid.

Molecular Properties

Compound Name(propanoylamino)methylphosphonic acid
PubChem CID15675180
Molecular FormulaC4H10NO4P
Molecular Weight167.10 g/mol
Exact Mass167.03
IUPAC Name(propanoylamino)methylphosphonic acid
SMILESCCC(=O)NCP(=O)(O)O
InChIInChI=1S/C4H10NO4P/c1-2-4(6)5-3-10(7,8)9/h2-3H2,1H3,(H,5,6)(H2,7,8,9)
InChIKeyCITYBLMEAOOQTA-UHFFFAOYSA-N
XLogP-0.35
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.10
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (propanoylamino)methylphosphonic acid?
The IUPAC name of (propanoylamino)methylphosphonic acid (CID 15675180) is (propanoylamino)methylphosphonic acid.
What is the SMILES notation for (propanoylamino)methylphosphonic acid?
The canonical SMILES for (propanoylamino)methylphosphonic acid is CCC(=O)NCP(=O)(O)O.
What is the InChIKey of (propanoylamino)methylphosphonic acid?
The InChIKey is CITYBLMEAOOQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NO4P/c1-2-4(6)5-3-10(7,8)9/h2-3H2,1H3,(H,5,6)(H2,7,8,9).
What are the key properties of (propanoylamino)methylphosphonic acid?
(propanoylamino)methylphosphonic acid has a molecular weight of 167.10 g/mol, XLogP of -0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (propanoylamino)methylphosphonic acid is sourced from PubChem (CID 15675180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).