(2R)-1-[dimethoxyphosphorylmethyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol

C9H22NO5P — CID 93482131

IUPAC(2R)-1-[dimethoxyphosphorylmethyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
SMILESCOP(=O)(CN(C[C@@H](C)O)C[C@@H](C)O)OC
InChIInChI=1S/C9H22NO5P/c1-8(11)5-10(6-9(2)12)7-16(13,14-3)15-4/h8-9,11-12H,5-7H2,1-4H3/t8-,9-/m1/s1
InChIKeySLJIKADEGHILDH-RKDXNWHRSA-N
MW255.25 g/mol
LogP0.49
Rot. Bonds8

About (2R)-1-[dimethoxyphosphorylmethyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol

(2R)-1-[dimethoxyphosphorylmethyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol (PubChem CID 93482131) has the molecular formula C9H22NO5P and a molecular weight of 255.25 g/mol. Its IUPAC name is (2R)-1-[dimethoxyphosphorylmethyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[dimethoxyphosphorylmethyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
PubChem CID93482131
Molecular FormulaC9H22NO5P
Molecular Weight255.25 g/mol
Exact Mass255.12
IUPAC Name(2R)-1-[dimethoxyphosphorylmethyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
SMILESCOP(=O)(CN(C[C@@H](C)O)C[C@@H](C)O)OC
InChIInChI=1S/C9H22NO5P/c1-8(11)5-10(6-9(2)12)7-16(13,14-3)15-4/h8-9,11-12H,5-7H2,1-4H3/t8-,9-/m1/s1
InChIKeySLJIKADEGHILDH-RKDXNWHRSA-N
XLogP0.49
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[bis(2-methoxyethyl)amino]propan-2-ol
CID 59693413
2-[dimethoxyphosphorylmethyl(hydroxymethyl)amino]ethanol
CID 141320852
methyl 2-[2-hydroxypropyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62955024
(2R)-1-[ethyl(2-methoxyethyl)amino]propan-2-ol
CID 103935037
[3-[bis(2-hydroxypropyl)amino]-1-phosphonopropyl]phosphonic acid
CID 21430077
(2R)-1-[bis(cyclopropylmethyl)amino]propan-2-ol
CID 103935199
3-dimethoxyphosphorylpropane-1,2-diol
CID 129239844
methyl 3-[ethyl(2-hydroxypropyl)amino]propanoate
CID 62026208
(2S)-1-[2-hydroxyethyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 6950665
[(3S)-1-dimethoxyphosphoryl-2-hydroxy-5-methylhexan-3-yl]-trimethylazanium
CID 59271727
(2S)-1-[[bis[(2R)-2-hydroxypropyl]amino]-[(2S)-2-hydroxypropyl]amino]propan-2-ol
CID 92557045
sodium 2-[bis(2-hydroxypropyl)amino]acetate
CID 23683241

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[dimethoxyphosphorylmethyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol?
The IUPAC name of (2R)-1-[dimethoxyphosphorylmethyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol (CID 93482131) is (2R)-1-[dimethoxyphosphorylmethyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[dimethoxyphosphorylmethyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-[dimethoxyphosphorylmethyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol is COP(=O)(CN(C[C@@H](C)O)C[C@@H](C)O)OC.
What is the InChIKey of (2R)-1-[dimethoxyphosphorylmethyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol?
The InChIKey is SLJIKADEGHILDH-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H22NO5P/c1-8(11)5-10(6-9(2)12)7-16(13,14-3)15-4/h8-9,11-12H,5-7H2,1-4H3/t8-,9-/m1/s1.
What are the key properties of (2R)-1-[dimethoxyphosphorylmethyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol?
(2R)-1-[dimethoxyphosphorylmethyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol has a molecular weight of 255.25 g/mol, XLogP of 0.49, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[dimethoxyphosphorylmethyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol is sourced from PubChem (CID 93482131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).