[(2S)-2-aminopropyl] dihydrogen phosphate

C3H10NO4P — CID 87075669

IUPAC[(2S)-2-aminopropyl] dihydrogen phosphate
SMILESC[C@H](N)COP(=O)(O)O
InChIInChI=1S/C3H10NO4P/c1-3(4)2-8-9(5,6)7/h3H,2,4H2,1H3,(H2,5,6,7)/t3-/m0/s1
InChIKeyHXVYXGXJLKOREU-VKHMYHEASA-N
MW155.09 g/mol
LogP-0.56
Rot. Bonds3

About [(2S)-2-aminopropyl] dihydrogen phosphate

[(2S)-2-aminopropyl] dihydrogen phosphate (PubChem CID 87075669) has the molecular formula C3H10NO4P and a molecular weight of 155.09 g/mol. Its IUPAC name is [(2S)-2-aminopropyl] dihydrogen phosphate.

Molecular Properties

Compound Name[(2S)-2-aminopropyl] dihydrogen phosphate
PubChem CID87075669
Molecular FormulaC3H10NO4P
Molecular Weight155.09 g/mol
Exact Mass155.03
IUPAC Name[(2S)-2-aminopropyl] dihydrogen phosphate
SMILESC[C@H](N)COP(=O)(O)O
InChIInChI=1S/C3H10NO4P/c1-3(4)2-8-9(5,6)7/h3H,2,4H2,1H3,(H2,5,6,7)/t3-/m0/s1
InChIKeyHXVYXGXJLKOREU-VKHMYHEASA-N
XLogP-0.56
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.09
LogP ≤ 5-0.56
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

[(2R)-2-aminopropyl] dihydrogen phosphate
CID 91096185
5-aminohexyl dihydrogen phosphate
CID 18767611
(2-amino-3-fluoropropyl) dihydrogen phosphate
CID 19927082
[(2S)-2-amino-3-(methylamino)-3-oxopropyl] dihydrogen phosphate
CID 14102760
[(2R,3R)-3-amino-2,4-dihydroxybutyl] dihydrogen phosphate
CID 89155758
(2-tert-butyl-3,3-dimethylbutyl) dihydrogen phosphate
CID 58431242
(2-amino-3-phosphonooxypropanoyl)oxymethyl 2-aminobutanoate
CID 89177803
[(2S)-2-amino-3-hydroxy-1-(1-phosphonooxypropan-2-yloxy)propyl] dihydrogen phosphate
CID 87393486
ethane-1,2-diol;1-phosphonooxypropan-2-yl dihydrogen phosphate;dihydrate
CID 173279617
[(2R,3R,4S,5R)-2-amino-3,4,5-trihydroxy-6-phosphonooxyhexyl] dihydrogen phosphate
CID 156618029
2-amino-3-hydroxy-4-phosphonooxybutanoic acid
CID 1007
[(2R,3S)-2,3-dihydroxy-4-methoxybutyl] dihydrogen phosphate
CID 54421134

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-aminopropyl] dihydrogen phosphate?
The IUPAC name of [(2S)-2-aminopropyl] dihydrogen phosphate (CID 87075669) is [(2S)-2-aminopropyl] dihydrogen phosphate.
What is the SMILES notation for [(2S)-2-aminopropyl] dihydrogen phosphate?
The canonical SMILES for [(2S)-2-aminopropyl] dihydrogen phosphate is C[C@H](N)COP(=O)(O)O.
What is the InChIKey of [(2S)-2-aminopropyl] dihydrogen phosphate?
The InChIKey is HXVYXGXJLKOREU-VKHMYHEASA-N. The full InChI is InChI=1S/C3H10NO4P/c1-3(4)2-8-9(5,6)7/h3H,2,4H2,1H3,(H2,5,6,7)/t3-/m0/s1.
What are the key properties of [(2S)-2-aminopropyl] dihydrogen phosphate?
[(2S)-2-aminopropyl] dihydrogen phosphate has a molecular weight of 155.09 g/mol, XLogP of -0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-aminopropyl] dihydrogen phosphate is sourced from PubChem (CID 87075669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).