2-aminoethylphosphanylformic acid

C3H8NO2P — CID 157293431

IUPAC2-aminoethylphosphanylformic acid
SMILESNCCPC(=O)O
InChIInChI=1S/C3H8NO2P/c4-1-2-7-3(5)6/h7H,1-2,4H2,(H,5,6)
InChIKeySIHTYMPEEPSGKV-UHFFFAOYSA-N
MW121.08 g/mol
LogP0.30
Rot. Bonds3

About 2-aminoethylphosphanylformic acid

2-aminoethylphosphanylformic acid (PubChem CID 157293431) has the molecular formula C3H8NO2P and a molecular weight of 121.08 g/mol. Its IUPAC name is 2-aminoethylphosphanylformic acid.

Molecular Properties

Compound Name2-aminoethylphosphanylformic acid
PubChem CID157293431
Molecular FormulaC3H8NO2P
Molecular Weight121.08 g/mol
Exact Mass121.03
IUPAC Name2-aminoethylphosphanylformic acid
SMILESNCCPC(=O)O
InChIInChI=1S/C3H8NO2P/c4-1-2-7-3(5)6/h7H,1-2,4H2,(H,5,6)
InChIKeySIHTYMPEEPSGKV-UHFFFAOYSA-N
XLogP0.30
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.08
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 160895097
CID 160895097
acetic acid;chromium;ethane-1,2-diamine
CID 157437445
acetic acid;copper;ethane-1,2-diamine
CID 88782929
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CID 11366951
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CID 174691220

Frequently Asked Questions

What is the IUPAC name of 2-aminoethylphosphanylformic acid?
The IUPAC name of 2-aminoethylphosphanylformic acid (CID 157293431) is 2-aminoethylphosphanylformic acid.
What is the SMILES notation for 2-aminoethylphosphanylformic acid?
The canonical SMILES for 2-aminoethylphosphanylformic acid is NCCPC(=O)O.
What is the InChIKey of 2-aminoethylphosphanylformic acid?
The InChIKey is SIHTYMPEEPSGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8NO2P/c4-1-2-7-3(5)6/h7H,1-2,4H2,(H,5,6).
What are the key properties of 2-aminoethylphosphanylformic acid?
2-aminoethylphosphanylformic acid has a molecular weight of 121.08 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethylphosphanylformic acid is sourced from PubChem (CID 157293431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).