[(2S)-3-amino-2-hydroxypropyl]-(diethoxymethyl)phosphinic acid

C8H20NO5P — CID 10377028

IUPAC[(2S)-3-amino-2-hydroxypropyl]-(diethoxymethyl)phosphinic acid
SMILESCCOC(OCC)P(=O)(O)C[C@@H](O)CN
InChIInChI=1S/C8H20NO5P/c1-3-13-8(14-4-2)15(11,12)6-7(10)5-9/h7-8,10H,3-6,9H2,1-2H3,(H,11,12)/t7-/m0/s1
InChIKeyZPQZCSLTMACLHC-ZETCQYMHSA-N
MW241.22 g/mol
LogP-0.07
Rot. Bonds8

About [(2S)-3-amino-2-hydroxypropyl]-(diethoxymethyl)phosphinic acid

[(2S)-3-amino-2-hydroxypropyl]-(diethoxymethyl)phosphinic acid (PubChem CID 10377028) has the molecular formula C8H20NO5P and a molecular weight of 241.22 g/mol. Its IUPAC name is [(2S)-3-amino-2-hydroxypropyl]-(diethoxymethyl)phosphinic acid.

Molecular Properties

Compound Name[(2S)-3-amino-2-hydroxypropyl]-(diethoxymethyl)phosphinic acid
PubChem CID10377028
Molecular FormulaC8H20NO5P
Molecular Weight241.22 g/mol
Exact Mass241.11
IUPAC Name[(2S)-3-amino-2-hydroxypropyl]-(diethoxymethyl)phosphinic acid
SMILESCCOC(OCC)P(=O)(O)C[C@@H](O)CN
InChIInChI=1S/C8H20NO5P/c1-3-13-8(14-4-2)15(11,12)6-7(10)5-9/h7-8,10H,3-6,9H2,1-2H3,(H,11,12)/t7-/m0/s1
InChIKeyZPQZCSLTMACLHC-ZETCQYMHSA-N
XLogP-0.07
TPSA102.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[(2R)-3-amino-2-(4-chlorophenyl)propyl]-(diethoxymethyl)phosphinic acid
CID 23928163
1-aminoheptan-2-ol;phosphoric acid
CID 174932535
(2S)-1-amino-3-[cyclohexylmethyl(ethoxy)phosphoryl]propan-2-ol
CID 10061302
diethoxymethyl(methyl)phosphinate
CID 21292315
ethanamine;1-ethoxyethanol
CID 20501270
ethoxyethane;phosphoric acid;propane-1,2,3-triol
CID 87153916
1-amino-3-(3-ethoxy-2-hydroxypropoxy)propan-2-ol
CID 58703853
[amino(hydroxy)methyl]-ethoxyphosphinic acid
CID 174477551
(2S,5R)-6-amino-2-(diethoxyphosphorylmethylamino)-5-hydroxyhexanoic acid
CID 87478703
2-[bis(2,2-diethoxyethyl)phosphoryl]-1,1-diethoxyethane
CID 14740209
2-ethoxy-3-methylbutan-1-amine
CID 62445436
O-[[diethoxymethyl(ethoxy)phosphoryl]methyl]hydroxylamine
CID 14516597

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-amino-2-hydroxypropyl]-(diethoxymethyl)phosphinic acid?
The IUPAC name of [(2S)-3-amino-2-hydroxypropyl]-(diethoxymethyl)phosphinic acid (CID 10377028) is [(2S)-3-amino-2-hydroxypropyl]-(diethoxymethyl)phosphinic acid.
What is the SMILES notation for [(2S)-3-amino-2-hydroxypropyl]-(diethoxymethyl)phosphinic acid?
The canonical SMILES for [(2S)-3-amino-2-hydroxypropyl]-(diethoxymethyl)phosphinic acid is CCOC(OCC)P(=O)(O)C[C@@H](O)CN.
What is the InChIKey of [(2S)-3-amino-2-hydroxypropyl]-(diethoxymethyl)phosphinic acid?
The InChIKey is ZPQZCSLTMACLHC-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H20NO5P/c1-3-13-8(14-4-2)15(11,12)6-7(10)5-9/h7-8,10H,3-6,9H2,1-2H3,(H,11,12)/t7-/m0/s1.
What are the key properties of [(2S)-3-amino-2-hydroxypropyl]-(diethoxymethyl)phosphinic acid?
[(2S)-3-amino-2-hydroxypropyl]-(diethoxymethyl)phosphinic acid has a molecular weight of 241.22 g/mol, XLogP of -0.07, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-amino-2-hydroxypropyl]-(diethoxymethyl)phosphinic acid is sourced from PubChem (CID 10377028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).