2-[dihydroxyphosphinothioylmethyl(propyl)amino]acetic acid

C6H14NO4PS — CID 88770779

IUPAC2-[dihydroxyphosphinothioylmethyl(propyl)amino]acetic acid
SMILESCCCN(CC(=O)O)CP(O)(O)=S
InChIInChI=1S/C6H14NO4PS/c1-2-3-7(4-6(8)9)5-12(10,11)13/h2-5H2,1H3,(H,8,9)(H2,10,11,13)
InChIKeyASVOWUAABOSOIM-UHFFFAOYSA-N
MW227.22 g/mol
LogP0.03
Rot. Bonds6

About 2-[dihydroxyphosphinothioylmethyl(propyl)amino]acetic acid

2-[dihydroxyphosphinothioylmethyl(propyl)amino]acetic acid (PubChem CID 88770779) has the molecular formula C6H14NO4PS and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-[dihydroxyphosphinothioylmethyl(propyl)amino]acetic acid.

Molecular Properties

Compound Name2-[dihydroxyphosphinothioylmethyl(propyl)amino]acetic acid
PubChem CID88770779
Molecular FormulaC6H14NO4PS
Molecular Weight227.22 g/mol
Exact Mass227.04
IUPAC Name2-[dihydroxyphosphinothioylmethyl(propyl)amino]acetic acid
SMILESCCCN(CC(=O)O)CP(O)(O)=S
InChIInChI=1S/C6H14NO4PS/c1-2-3-7(4-6(8)9)5-12(10,11)13/h2-5H2,1H3,(H,8,9)(H2,10,11,13)
InChIKeyASVOWUAABOSOIM-UHFFFAOYSA-N
XLogP0.03
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-[ethyl(propyl)amino]acetic acid
CID 143677754
2-[2-(dipropylamino)ethyl-propylamino]acetic acid
CID 155392910
2-[propyl(undecyl)amino]acetic acid
CID 146831092
2-[3-aminopropyl(propyl)amino]acetic acid
CID 63652854
2-[2-methylidenebutyl(propyl)amino]acetic acid
CID 66046219
2-[2-cyanoethyl(propyl)amino]acetic acid
CID 62962287
2-[3-methylbutyl(propyl)amino]acetic acid
CID 61008977
ethane;2-[methyl(propyl)amino]acetic acid
CID 153373363
azane;[phosphonomethyl(propyl)amino]methylphosphonic acid
CID 138397255
2-[bis[2-(dipropylamino)-2-oxoethyl]amino]acetic acid
CID 138501380
2-[5-hydroxypentyl(propyl)amino]acetic acid
CID 62228100
2-[[2-(azocan-1-yl)-2-oxoethyl]-propylamino]acetic acid
CID 61006933

Frequently Asked Questions

What is the IUPAC name of 2-[dihydroxyphosphinothioylmethyl(propyl)amino]acetic acid?
The IUPAC name of 2-[dihydroxyphosphinothioylmethyl(propyl)amino]acetic acid (CID 88770779) is 2-[dihydroxyphosphinothioylmethyl(propyl)amino]acetic acid.
What is the SMILES notation for 2-[dihydroxyphosphinothioylmethyl(propyl)amino]acetic acid?
The canonical SMILES for 2-[dihydroxyphosphinothioylmethyl(propyl)amino]acetic acid is CCCN(CC(=O)O)CP(O)(O)=S.
What is the InChIKey of 2-[dihydroxyphosphinothioylmethyl(propyl)amino]acetic acid?
The InChIKey is ASVOWUAABOSOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO4PS/c1-2-3-7(4-6(8)9)5-12(10,11)13/h2-5H2,1H3,(H,8,9)(H2,10,11,13).
What are the key properties of 2-[dihydroxyphosphinothioylmethyl(propyl)amino]acetic acid?
2-[dihydroxyphosphinothioylmethyl(propyl)amino]acetic acid has a molecular weight of 227.22 g/mol, XLogP of 0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dihydroxyphosphinothioylmethyl(propyl)amino]acetic acid is sourced from PubChem (CID 88770779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).