azane;pyrrolidin-3-yl dihydrogen phosphate

C4H13N2O4P — CID 175900339

IUPACazane;pyrrolidin-3-yl dihydrogen phosphate
SMILESN.O=P(O)(O)OC1CCNC1
InChIInChI=1S/C4H10NO4P.H3N/c6-10(7,8)9-4-1-2-5-3-4;/h4-5H,1-3H2,(H2,6,7,8);1H3
InChIKeyRIIOWCGUCYBUKK-UHFFFAOYSA-N
MW184.13 g/mol
LogP-0.38
Rot. Bonds2

About azane;pyrrolidin-3-yl dihydrogen phosphate

azane;pyrrolidin-3-yl dihydrogen phosphate (PubChem CID 175900339) has the molecular formula C4H13N2O4P and a molecular weight of 184.13 g/mol. Its IUPAC name is azane;pyrrolidin-3-yl dihydrogen phosphate.

Molecular Properties

Compound Nameazane;pyrrolidin-3-yl dihydrogen phosphate
PubChem CID175900339
Molecular FormulaC4H13N2O4P
Molecular Weight184.13 g/mol
Exact Mass184.06
IUPAC Nameazane;pyrrolidin-3-yl dihydrogen phosphate
SMILESN.O=P(O)(O)OC1CCNC1
InChIInChI=1S/C4H10NO4P.H3N/c6-10(7,8)9-4-1-2-5-3-4;/h4-5H,1-3H2,(H2,6,7,8);1H3
InChIKeyRIIOWCGUCYBUKK-UHFFFAOYSA-N
XLogP-0.38
TPSA113.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.13
LogP ≤ 5-0.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate;phosphane
CID 87060873
pyrrolidin-3-ylphosphonic acid
CID 19370172
[(3R)-pyrrolidin-3-yl] carbamate;hydrochloride
CID 67938211
2-[(3S)-pyrrolidin-3-yl]oxyacetamide
CID 94401198
[(3S)-pyrrolidin-3-yl] (3S)-pyrrolidine-3-carboxylate
CID 140571611
(3R)-3-methoxypyrrolidine;hydrate
CID 164870177
3-(azetidin-3-yloxy)pyrrolidine;dihydrochloride
CID 155893811
pyrrolidin-3-yl propanoate
CID 53409832
pyrrolidin-3-yl N,N-dimethylcarbamate
CID 54025595
pyrrolidin-3-yl 2,2,2-trichloroacetate;hydrochloride
CID 56829478
[(3S)-pyrrolidin-3-yl] trifluoromethanesulfonate
CID 56973569
azetidine;3-methoxypyrrolidine
CID 143553472

Frequently Asked Questions

What is the IUPAC name of azane;pyrrolidin-3-yl dihydrogen phosphate?
The IUPAC name of azane;pyrrolidin-3-yl dihydrogen phosphate (CID 175900339) is azane;pyrrolidin-3-yl dihydrogen phosphate.
What is the SMILES notation for azane;pyrrolidin-3-yl dihydrogen phosphate?
The canonical SMILES for azane;pyrrolidin-3-yl dihydrogen phosphate is N.O=P(O)(O)OC1CCNC1.
What is the InChIKey of azane;pyrrolidin-3-yl dihydrogen phosphate?
The InChIKey is RIIOWCGUCYBUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NO4P.H3N/c6-10(7,8)9-4-1-2-5-3-4;/h4-5H,1-3H2,(H2,6,7,8);1H3.
What are the key properties of azane;pyrrolidin-3-yl dihydrogen phosphate?
azane;pyrrolidin-3-yl dihydrogen phosphate has a molecular weight of 184.13 g/mol, XLogP of -0.38, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;pyrrolidin-3-yl dihydrogen phosphate is sourced from PubChem (CID 175900339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).