(2-phosphonopyrrolidin-2-yl)phosphonic acid

C4H11NO6P2 — CID 12886166

IUPAC(2-phosphonopyrrolidin-2-yl)phosphonic acid
SMILESO=P(O)(O)C1(P(=O)(O)O)CCCN1
InChIInChI=1S/C4H11NO6P2/c6-12(7,8)4(13(9,10)11)2-1-3-5-4/h5H,1-3H2,(H2,6,7,8)(H2,9,10,11)
InChIKeyGDRWQOJIKFWLOC-UHFFFAOYSA-N
MW231.08 g/mol
LogP-0.62
Rot. Bonds2

About (2-phosphonopyrrolidin-2-yl)phosphonic acid

(2-phosphonopyrrolidin-2-yl)phosphonic acid (PubChem CID 12886166) has the molecular formula C4H11NO6P2 and a molecular weight of 231.08 g/mol. Its IUPAC name is (2-phosphonopyrrolidin-2-yl)phosphonic acid.

Molecular Properties

Compound Name(2-phosphonopyrrolidin-2-yl)phosphonic acid
PubChem CID12886166
Molecular FormulaC4H11NO6P2
Molecular Weight231.08 g/mol
Exact Mass231.01
IUPAC Name(2-phosphonopyrrolidin-2-yl)phosphonic acid
SMILESO=P(O)(O)C1(P(=O)(O)O)CCCN1
InChIInChI=1S/C4H11NO6P2/c6-12(7,8)4(13(9,10)11)2-1-3-5-4/h5H,1-3H2,(H2,6,7,8)(H2,9,10,11)
InChIKeyGDRWQOJIKFWLOC-UHFFFAOYSA-N
XLogP-0.62
TPSA127.09 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.08
LogP ≤ 5-0.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-phosphonoazonan-5-yl)phosphonic acid
CID 139663575
methyl-(2-methyl-1,3-diazinan-2-yl)phosphinic acid
CID 20532334
azetidine;phosphoric acid
CID 172755037
(2R)-2-methylpyrrolidin-2-ol
CID 146841570
(1-aminocyclopentyl)phosphonic acid
CID 2733968
phosphoric acid;tris(pyrrolidine)
CID 172771048
2-fluoropyrrolidine-2-carboxylic acid
CID 68687263
(5R)-1-azaspiro[4.4]nonan-9-ol
CID 171034901
(2S)-2-hydroxypyrrolidine-2-carboxylic acid;hydrochloride
CID 70246259
(1-methylcyclohexyl)phosphonic acid
CID 154345979
(2-methylpyrrolidin-2-yl)methyl carbamate
CID 175172887
methanol;2-methylpyrrolidine-2-carbaldehyde
CID 143757683

Frequently Asked Questions

What is the IUPAC name of (2-phosphonopyrrolidin-2-yl)phosphonic acid?
The IUPAC name of (2-phosphonopyrrolidin-2-yl)phosphonic acid (CID 12886166) is (2-phosphonopyrrolidin-2-yl)phosphonic acid.
What is the SMILES notation for (2-phosphonopyrrolidin-2-yl)phosphonic acid?
The canonical SMILES for (2-phosphonopyrrolidin-2-yl)phosphonic acid is O=P(O)(O)C1(P(=O)(O)O)CCCN1.
What is the InChIKey of (2-phosphonopyrrolidin-2-yl)phosphonic acid?
The InChIKey is GDRWQOJIKFWLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO6P2/c6-12(7,8)4(13(9,10)11)2-1-3-5-4/h5H,1-3H2,(H2,6,7,8)(H2,9,10,11).
What are the key properties of (2-phosphonopyrrolidin-2-yl)phosphonic acid?
(2-phosphonopyrrolidin-2-yl)phosphonic acid has a molecular weight of 231.08 g/mol, XLogP of -0.62, 2 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phosphonopyrrolidin-2-yl)phosphonic acid is sourced from PubChem (CID 12886166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).