[(1S)-1-amino-3-hydroxypentyl]phosphonic acid

C5H14NO4P — CID 15348708

IUPAC[(1S)-1-amino-3-hydroxypentyl]phosphonic acid
SMILESCCC(O)C[C@@H](N)P(=O)(O)O
InChIInChI=1S/C5H14NO4P/c1-2-4(7)3-5(6)11(8,9)10/h4-5,7H,2-3,6H2,1H3,(H2,8,9,10)/t4?,5-/m0/s1
InChIKeyWXGVIJFCHHQEGO-AKGZTFGVSA-N
MW183.14 g/mol
LogP-0.39
Rot. Bonds4

About [(1S)-1-amino-3-hydroxypentyl]phosphonic acid

[(1S)-1-amino-3-hydroxypentyl]phosphonic acid (PubChem CID 15348708) has the molecular formula C5H14NO4P and a molecular weight of 183.14 g/mol. Its IUPAC name is [(1S)-1-amino-3-hydroxypentyl]phosphonic acid.

Molecular Properties

Compound Name[(1S)-1-amino-3-hydroxypentyl]phosphonic acid
PubChem CID15348708
Molecular FormulaC5H14NO4P
Molecular Weight183.14 g/mol
Exact Mass183.07
IUPAC Name[(1S)-1-amino-3-hydroxypentyl]phosphonic acid
SMILESCCC(O)C[C@@H](N)P(=O)(O)O
InChIInChI=1S/C5H14NO4P/c1-2-4(7)3-5(6)11(8,9)10/h4-5,7H,2-3,6H2,1H3,(H2,8,9,10)/t4?,5-/m0/s1
InChIKeyWXGVIJFCHHQEGO-AKGZTFGVSA-N
XLogP-0.39
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.14
LogP ≤ 5-0.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(1S)-1-aminopropyl]phosphonic acid
CID 6994862
(3R,5R)-heptane-3,5-diol
CID 12641368
1-aminopropan-1-ol;butane;phosphoric acid
CID 87838613
1-hydroxypropylphosphonic acid
CID 12625401
1-dimethylphosphorylpropan-1-amine;hydrobromide
CID 159377336
[(4S)-1,4-diamino-3-oxopentyl]phosphonic acid
CID 148549360
(3R)-5,6-diaminohexan-3-ol
CID 89425679
(3R,5S)-5-amino-6-methylheptan-3-ol
CID 53487701
[1-(2,4,6,8,10,12,14,16,18,20-decaphosphonodocosyl)-3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-nonatriacontaphosphonooctacontyl]phosphonic acid
CID 140627932
carbanide;hexane-2,4-diol;yttrium
CID 59749638
(4R,6R)-4,6-dihydroxyoctan-2-one
CID 58846635
pentan-3-ol
CID 11428

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-amino-3-hydroxypentyl]phosphonic acid?
The IUPAC name of [(1S)-1-amino-3-hydroxypentyl]phosphonic acid (CID 15348708) is [(1S)-1-amino-3-hydroxypentyl]phosphonic acid.
What is the SMILES notation for [(1S)-1-amino-3-hydroxypentyl]phosphonic acid?
The canonical SMILES for [(1S)-1-amino-3-hydroxypentyl]phosphonic acid is CCC(O)C[C@@H](N)P(=O)(O)O.
What is the InChIKey of [(1S)-1-amino-3-hydroxypentyl]phosphonic acid?
The InChIKey is WXGVIJFCHHQEGO-AKGZTFGVSA-N. The full InChI is InChI=1S/C5H14NO4P/c1-2-4(7)3-5(6)11(8,9)10/h4-5,7H,2-3,6H2,1H3,(H2,8,9,10)/t4?,5-/m0/s1.
What are the key properties of [(1S)-1-amino-3-hydroxypentyl]phosphonic acid?
[(1S)-1-amino-3-hydroxypentyl]phosphonic acid has a molecular weight of 183.14 g/mol, XLogP of -0.39, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-amino-3-hydroxypentyl]phosphonic acid is sourced from PubChem (CID 15348708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).