N-phosphonatopyrrolidin-1-amine

C4H9N2O3P-2 — CID 22321127

IUPACN-phosphonatopyrrolidin-1-amine
SMILESO=P([O-])([O-])NN1CCCC1
InChIInChI=1S/C4H11N2O3P/c7-10(8,9)5-6-3-1-2-4-6/h1-4H2,(H3,5,7,8,9)/p-2
InChIKeyBAULLJWMDGGPEA-UHFFFAOYSA-L
MW164.10 g/mol
LogP-1.58
Rot. Bonds2

About N-phosphonatopyrrolidin-1-amine

N-phosphonatopyrrolidin-1-amine (PubChem CID 22321127) has the molecular formula C4H9N2O3P-2 and a molecular weight of 164.10 g/mol. Its IUPAC name is N-phosphonatopyrrolidin-1-amine.

Molecular Properties

Compound NameN-phosphonatopyrrolidin-1-amine
PubChem CID22321127
Molecular FormulaC4H9N2O3P-2
Molecular Weight164.10 g/mol
Exact Mass164.04
IUPAC NameN-phosphonatopyrrolidin-1-amine
SMILESO=P([O-])([O-])NN1CCCC1
InChIInChI=1S/C4H11N2O3P/c7-10(8,9)5-6-3-1-2-4-6/h1-4H2,(H3,5,7,8,9)/p-2
InChIKeyBAULLJWMDGGPEA-UHFFFAOYSA-L
XLogP-1.58
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.10
LogP ≤ 5-1.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-dichlorophosphorylpiperidin-1-amine
CID 19746597
N-[bis(chloromethyl)phosphoryl]piperidin-1-amine
CID 117061750
N-bis(piperidin-1-ylamino)phosphinothioylpiperidin-1-amine
CID 134094637
N-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 130685357
(dipyrrolidin-1-ylmethylideneamino)-methylphosphinate
CID 161114274
1,3-dipyrrolidin-1-ylurea
CID 140976479
N-pyrrolidin-1-ylhydroxylamine
CID 54495449
N-pyrrolidin-1-ylacetamide
CID 22023174
pyrrolidin-1-ylphosphonic acid
CID 18956500
pyrrolidin-1-ylurea;hydrate
CID 141393036
N-(3-hydroxy-2,3-dimethylbutan-2-yl)pyrrolidine-1-carboxamide
CID 104594555
azepan-1-ylphosphonic acid
CID 13100816

Frequently Asked Questions

What is the IUPAC name of N-phosphonatopyrrolidin-1-amine?
The IUPAC name of N-phosphonatopyrrolidin-1-amine (CID 22321127) is N-phosphonatopyrrolidin-1-amine.
What is the SMILES notation for N-phosphonatopyrrolidin-1-amine?
The canonical SMILES for N-phosphonatopyrrolidin-1-amine is O=P([O-])([O-])NN1CCCC1.
What is the InChIKey of N-phosphonatopyrrolidin-1-amine?
The InChIKey is BAULLJWMDGGPEA-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H11N2O3P/c7-10(8,9)5-6-3-1-2-4-6/h1-4H2,(H3,5,7,8,9)/p-2.
What are the key properties of N-phosphonatopyrrolidin-1-amine?
N-phosphonatopyrrolidin-1-amine has a molecular weight of 164.10 g/mol, XLogP of -1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phosphonatopyrrolidin-1-amine is sourced from PubChem (CID 22321127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).