aminophosphanyl pentanoate

C5H12NO2P — CID 175591629

IUPACaminophosphanyl pentanoate
SMILESCCCCC(=O)OPN
InChIInChI=1S/C5H12NO2P/c1-2-3-4-5(7)8-9-6/h9H,2-4,6H2,1H3
InChIKeyBAOXPTNXBRZYPB-UHFFFAOYSA-N
MW149.13 g/mol
LogP1.19
Rot. Bonds4

About aminophosphanyl pentanoate

aminophosphanyl pentanoate (PubChem CID 175591629) has the molecular formula C5H12NO2P and a molecular weight of 149.13 g/mol. Its IUPAC name is aminophosphanyl pentanoate.

Molecular Properties

Compound Nameaminophosphanyl pentanoate
PubChem CID175591629
Molecular FormulaC5H12NO2P
Molecular Weight149.13 g/mol
Exact Mass149.06
IUPAC Nameaminophosphanyl pentanoate
SMILESCCCCC(=O)OPN
InChIInChI=1S/C5H12NO2P/c1-2-3-4-5(7)8-9-6/h9H,2-4,6H2,1H3
InChIKeyBAOXPTNXBRZYPB-UHFFFAOYSA-N
XLogP1.19
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.13
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hydrazine;methyl pentanoate
CID 88709772
dipentanoyl hexanedioate
CID 174373362
(2-amino-2-oxoethyl) pentanoate
CID 142660312
bismuthane;propyl pentanoate
CID 174550006
(2-hydroxyacetyl)oxymethyl pentanoate
CID 59942583
hydroxymethyl tetratriacontanoate
CID 141312892
nonyl pentanoate
CID 568602
hydroxymethyl nonanoate
CID 118275970
di(pentanoyloxy)indiganyl pentanoate
CID 16717023
fluoro pentanoate;hydrochloride
CID 140774390
tert-butyl pentanoate;hydrazine
CID 174371267
sodium;hydride;hydroxymethyl tridecanoate
CID 175516324

Frequently Asked Questions

What is the IUPAC name of aminophosphanyl pentanoate?
The IUPAC name of aminophosphanyl pentanoate (CID 175591629) is aminophosphanyl pentanoate.
What is the SMILES notation for aminophosphanyl pentanoate?
The canonical SMILES for aminophosphanyl pentanoate is CCCCC(=O)OPN.
What is the InChIKey of aminophosphanyl pentanoate?
The InChIKey is BAOXPTNXBRZYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO2P/c1-2-3-4-5(7)8-9-6/h9H,2-4,6H2,1H3.
What are the key properties of aminophosphanyl pentanoate?
aminophosphanyl pentanoate has a molecular weight of 149.13 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aminophosphanyl pentanoate is sourced from PubChem (CID 175591629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).