1-phosphanylpyrrolidine-2,4-dicarboxylic acid

C6H10NO4P — CID 134285736

IUPAC1-phosphanylpyrrolidine-2,4-dicarboxylic acid
SMILESO=C(O)C1CC(C(=O)O)N(P)C1
InChIInChI=1S/C6H10NO4P/c8-5(9)3-1-4(6(10)11)7(12)2-3/h3-4H,1-2,12H2,(H,8,9)(H,10,11)
InChIKeyROTPFVCNEBQIQR-UHFFFAOYSA-N
MW191.12 g/mol
LogP-0.36
Rot. Bonds2

About 1-phosphanylpyrrolidine-2,4-dicarboxylic acid

1-phosphanylpyrrolidine-2,4-dicarboxylic acid (PubChem CID 134285736) has the molecular formula C6H10NO4P and a molecular weight of 191.12 g/mol. Its IUPAC name is 1-phosphanylpyrrolidine-2,4-dicarboxylic acid.

Molecular Properties

Compound Name1-phosphanylpyrrolidine-2,4-dicarboxylic acid
PubChem CID134285736
Molecular FormulaC6H10NO4P
Molecular Weight191.12 g/mol
Exact Mass191.03
IUPAC Name1-phosphanylpyrrolidine-2,4-dicarboxylic acid
SMILESO=C(O)C1CC(C(=O)O)N(P)C1
InChIInChI=1S/C6H10NO4P/c8-5(9)3-1-4(6(10)11)7(12)2-3/h3-4H,1-2,12H2,(H,8,9)(H,10,11)
InChIKeyROTPFVCNEBQIQR-UHFFFAOYSA-N
XLogP-0.36
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.12
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,4S)-pyrrolidine-1,2,4-tricarboxylic acid
CID 57440863
(2S,5S)-5-hydroxy-1-phosphanylpiperidine-2-carboxylic acid
CID 166910012
1-(4-aminobutyl)pyrrolidine-2,4-dicarboxylic acid
CID 67760725
(2S)-1-tritylpyrrolidine-2,4-dicarboxylic acid
CID 69364853
(2R,4R)-1-(2-acetamidoacetyl)pyrrolidine-2,4-dicarboxylic acid
CID 69133986
(3R,5S)-5-acetyl-1-methylpiperidine-3-carboxylic acid
CID 59778322
(2S,4R)-1-[[(1S,3R)-1,3-dicarboxybutyl]amino]pyrrolidine-2,4-dicarboxylic acid
CID 123671043
1-[(4R)-4-amino-5-carboxypentanoyl]pyrrolidine-2,4-dicarboxylic acid
CID 69489250
(1R,3S,4S)-3-hydroxy-4-methylcyclopentane-1-carboxylic acid
CID 135389555
(1S,3S,4R)-3-hydroxy-4-methylcyclopentane-1-carboxylic acid
CID 160545951
(3S)-cyclopentane-1,3-dicarboxylic acid
CID 138481198
(2R,4S)-1-phenylmethoxycarbonylpyrrolidine-2,4-dicarboxylic acid
CID 18391508

Frequently Asked Questions

What is the IUPAC name of 1-phosphanylpyrrolidine-2,4-dicarboxylic acid?
The IUPAC name of 1-phosphanylpyrrolidine-2,4-dicarboxylic acid (CID 134285736) is 1-phosphanylpyrrolidine-2,4-dicarboxylic acid.
What is the SMILES notation for 1-phosphanylpyrrolidine-2,4-dicarboxylic acid?
The canonical SMILES for 1-phosphanylpyrrolidine-2,4-dicarboxylic acid is O=C(O)C1CC(C(=O)O)N(P)C1.
What is the InChIKey of 1-phosphanylpyrrolidine-2,4-dicarboxylic acid?
The InChIKey is ROTPFVCNEBQIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10NO4P/c8-5(9)3-1-4(6(10)11)7(12)2-3/h3-4H,1-2,12H2,(H,8,9)(H,10,11).
What are the key properties of 1-phosphanylpyrrolidine-2,4-dicarboxylic acid?
1-phosphanylpyrrolidine-2,4-dicarboxylic acid has a molecular weight of 191.12 g/mol, XLogP of -0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phosphanylpyrrolidine-2,4-dicarboxylic acid is sourced from PubChem (CID 134285736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).