N-[(1S,2R)-1-dimethoxyphosphoryl-2-hydroxy-3-methylbutyl]acetamide

C9H20NO5P — CID 125471797

IUPACN-[(1S,2R)-1-dimethoxyphosphoryl-2-hydroxy-3-methylbutyl]acetamide
SMILESCOP(=O)(OC)[C@H](NC(C)=O)[C@H](O)C(C)C
InChIInChI=1S/C9H20NO5P/c1-6(2)8(12)9(10-7(3)11)16(13,14-4)15-5/h6,8-9,12H,1-5H3,(H,10,11)/t8-,9+/m1/s1
InChIKeyWUWZQPPDSWQCTB-BDAKNGLRSA-N
MW253.23 g/mol
LogP0.95
Rot. Bonds6

About N-[(1S,2R)-1-dimethoxyphosphoryl-2-hydroxy-3-methylbutyl]acetamide

N-[(1S,2R)-1-dimethoxyphosphoryl-2-hydroxy-3-methylbutyl]acetamide (PubChem CID 125471797) has the molecular formula C9H20NO5P and a molecular weight of 253.23 g/mol. Its IUPAC name is N-[(1S,2R)-1-dimethoxyphosphoryl-2-hydroxy-3-methylbutyl]acetamide.

Molecular Properties

Compound NameN-[(1S,2R)-1-dimethoxyphosphoryl-2-hydroxy-3-methylbutyl]acetamide
PubChem CID125471797
Molecular FormulaC9H20NO5P
Molecular Weight253.23 g/mol
Exact Mass253.11
IUPAC NameN-[(1S,2R)-1-dimethoxyphosphoryl-2-hydroxy-3-methylbutyl]acetamide
SMILESCOP(=O)(OC)[C@H](NC(C)=O)[C@H](O)C(C)C
InChIInChI=1S/C9H20NO5P/c1-6(2)8(12)9(10-7(3)11)16(13,14-4)15-5/h6,8-9,12H,1-5H3,(H,10,11)/t8-,9+/m1/s1
InChIKeyWUWZQPPDSWQCTB-BDAKNGLRSA-N
XLogP0.95
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-dimethoxyphosphoryl-2-methylpropyl)hydroxylamine
CID 12065471
methyl (2S,3S)-2-acetamido-3-hydroxy-4-methylpentanoate
CID 11367693
methyl 4-[(1-dimethoxyphosphoryl-2-methylpropyl)amino]-4-oxobutanoate
CID 15780123
ethyl 2-acetamido-2-dimethoxyphosphorylacetate
CID 66524865
methyl 2-dimethoxyphosphorylpropanoate
CID 11019771
methyl (2S)-2-dimethoxyphosphorylpropanoate
CID 124577703
N-[(E)-4-dimethoxyphosphorylbut-3-en-2-yl]acetamide
CID 14924309
1-dimethoxyphosphorylpropane-1,2-diol
CID 74820780
(1S,2S)-1-dimethoxyphosphorylpropane-1,2-diol
CID 42612314
N-(1-dimethoxyphosphoryl-2-oxo-2-phenylethyl)acetamide
CID 102237286
N-[(1S,2R)-1-diethoxyphosphoryl-1-hydroxypropan-2-yl]acetamide
CID 102320660
[(1R)-1-[[(2R)-2-hydroxypropanoyl]amino]ethyl]-methoxyphosphinic acid
CID 10104576

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-1-dimethoxyphosphoryl-2-hydroxy-3-methylbutyl]acetamide?
The IUPAC name of N-[(1S,2R)-1-dimethoxyphosphoryl-2-hydroxy-3-methylbutyl]acetamide (CID 125471797) is N-[(1S,2R)-1-dimethoxyphosphoryl-2-hydroxy-3-methylbutyl]acetamide.
What is the SMILES notation for N-[(1S,2R)-1-dimethoxyphosphoryl-2-hydroxy-3-methylbutyl]acetamide?
The canonical SMILES for N-[(1S,2R)-1-dimethoxyphosphoryl-2-hydroxy-3-methylbutyl]acetamide is COP(=O)(OC)[C@H](NC(C)=O)[C@H](O)C(C)C.
What is the InChIKey of N-[(1S,2R)-1-dimethoxyphosphoryl-2-hydroxy-3-methylbutyl]acetamide?
The InChIKey is WUWZQPPDSWQCTB-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H20NO5P/c1-6(2)8(12)9(10-7(3)11)16(13,14-4)15-5/h6,8-9,12H,1-5H3,(H,10,11)/t8-,9+/m1/s1.
What are the key properties of N-[(1S,2R)-1-dimethoxyphosphoryl-2-hydroxy-3-methylbutyl]acetamide?
N-[(1S,2R)-1-dimethoxyphosphoryl-2-hydroxy-3-methylbutyl]acetamide has a molecular weight of 253.23 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-1-dimethoxyphosphoryl-2-hydroxy-3-methylbutyl]acetamide is sourced from PubChem (CID 125471797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).