[(2R)-2-fluoro-3-[[(1R)-2-methyl-1-(2-methylpropanoyloxy)propoxy]carbonylamino]propyl]phosphonous acid

C12H23FNO6P — CID 91366533

IUPAC[(2R)-2-fluoro-3-[[(1R)-2-methyl-1-(2-methylpropanoyloxy)propoxy]carbonylamino]propyl]phosphonous acid
SMILESCC(C)C(=O)O[C@H](OC(=O)NC[C@@H](F)CP(O)O)C(C)C
InChIInChI=1S/C12H23FNO6P/c1-7(2)10(15)19-11(8(3)4)20-12(16)14-5-9(13)6-21(17)18/h7-9,11,17-18H,5-6H2,1-4H3,(H,14,16)/t9-,11-/m1/s1
InChIKeyMHGOZPBNRGSQFM-MWLCHTKSSA-N
MW327.29 g/mol
LogP1.53
Rot. Bonds8

About [(2R)-2-fluoro-3-[[(1R)-2-methyl-1-(2-methylpropanoyloxy)propoxy]carbonylamino]propyl]phosphonous acid

[(2R)-2-fluoro-3-[[(1R)-2-methyl-1-(2-methylpropanoyloxy)propoxy]carbonylamino]propyl]phosphonous acid (PubChem CID 91366533) has the molecular formula C12H23FNO6P and a molecular weight of 327.29 g/mol. Its IUPAC name is [(2R)-2-fluoro-3-[[(1R)-2-methyl-1-(2-methylpropanoyloxy)propoxy]carbonylamino]propyl]phosphonous acid.

Molecular Properties

Compound Name[(2R)-2-fluoro-3-[[(1R)-2-methyl-1-(2-methylpropanoyloxy)propoxy]carbonylamino]propyl]phosphonous acid
PubChem CID91366533
Molecular FormulaC12H23FNO6P
Molecular Weight327.29 g/mol
Exact Mass327.12
IUPAC Name[(2R)-2-fluoro-3-[[(1R)-2-methyl-1-(2-methylpropanoyloxy)propoxy]carbonylamino]propyl]phosphonous acid
SMILESCC(C)C(=O)O[C@H](OC(=O)NC[C@@H](F)CP(O)O)C(C)C
InChIInChI=1S/C12H23FNO6P/c1-7(2)10(15)19-11(8(3)4)20-12(16)14-5-9(13)6-21(17)18/h7-9,11,17-18H,5-6H2,1-4H3,(H,14,16)/t9-,11-/m1/s1
InChIKeyMHGOZPBNRGSQFM-MWLCHTKSSA-N
XLogP1.53
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(2R)-2-fluoro-3-[[(1R)-2-methyl-1-(2-methylpropanoyloxy)propoxy]carbonylamino]propyl]phosphonous acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S)-2-methyl-1-(propylcarbamoyloxy)propyl] 2-methylpropanoate
CID 173052886
methyl-[3-[[(1S)-2-methyl-1-(2-methylpropanoyloxy)propoxy]carbonylamino]-2-oxopropyl]phosphinic acid
CID 87306600
(2S)-3-[[(1S)-2-methyl-1-(2-methylpropanoyloxy)propoxy]carbonylamino]-2-pentylsulfanylpropanoic acid
CID 87295688
(3R)-3-[4-[[(1S)-2-methyl-1-(2-methylpropanoyloxy)propoxy]carbonylamino]phenyl]butanoic acid
CID 66662832
sodium 2-(4-chlorophenyl)-4-[[(1R)-2-methyl-1-(2-methylpropanoyloxy)propoxy]carbonylamino]butanoate
CID 23701727
(2S)-2-(2-chlorophenoxy)-3-[[(1S)-2-methyl-1-(2-methylpropanoyloxy)propoxy]carbonylamino]propanoic acid
CID 67172426
(2S)-2,5,5-trimethyl-2-[[(1R)-2-methyl-1-(2-methylpropanoyloxy)propoxy]carbonylamino]hexanoic acid
CID 87295524
[(2S)-2-fluoropropyl]carbamoyloxymethyl 2-methylpropanoate
CID 173052707
(2S)-2-(5-chloro-2-methoxyphenoxy)-3-[[(1R)-2-methyl-1-(2-methylpropanoyloxy)propoxy]carbonylamino]propanoic acid
CID 67172810
[1-[[N-(2-methoxy-2-oxoethyl)-N-methylcarbamimidoyl]carbamoyloxy]-2-methylpropyl] 2-methylpropanoate
CID 140520556
(2S)-3-[[(1R)-1-(2-methylpropanoyloxy)ethoxy]carbonylamino]-2-propan-2-ylsulfanylpropanoic acid
CID 87295388
(3R,4R,5R)-3-[[[(1R)-1-acetyloxy-2-methylpropoxy]carbonylamino]methyl]-4,5-dimethylheptanoic acid
CID 53234592

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-fluoro-3-[[(1R)-2-methyl-1-(2-methylpropanoyloxy)propoxy]carbonylamino]propyl]phosphonous acid?
The IUPAC name of [(2R)-2-fluoro-3-[[(1R)-2-methyl-1-(2-methylpropanoyloxy)propoxy]carbonylamino]propyl]phosphonous acid (CID 91366533) is [(2R)-2-fluoro-3-[[(1R)-2-methyl-1-(2-methylpropanoyloxy)propoxy]carbonylamino]propyl]phosphonous acid.
What is the SMILES notation for [(2R)-2-fluoro-3-[[(1R)-2-methyl-1-(2-methylpropanoyloxy)propoxy]carbonylamino]propyl]phosphonous acid?
The canonical SMILES for [(2R)-2-fluoro-3-[[(1R)-2-methyl-1-(2-methylpropanoyloxy)propoxy]carbonylamino]propyl]phosphonous acid is CC(C)C(=O)O[C@H](OC(=O)NC[C@@H](F)CP(O)O)C(C)C.
What is the InChIKey of [(2R)-2-fluoro-3-[[(1R)-2-methyl-1-(2-methylpropanoyloxy)propoxy]carbonylamino]propyl]phosphonous acid?
The InChIKey is MHGOZPBNRGSQFM-MWLCHTKSSA-N. The full InChI is InChI=1S/C12H23FNO6P/c1-7(2)10(15)19-11(8(3)4)20-12(16)14-5-9(13)6-21(17)18/h7-9,11,17-18H,5-6H2,1-4H3,(H,14,16)/t9-,11-/m1/s1.
What are the key properties of [(2R)-2-fluoro-3-[[(1R)-2-methyl-1-(2-methylpropanoyloxy)propoxy]carbonylamino]propyl]phosphonous acid?
[(2R)-2-fluoro-3-[[(1R)-2-methyl-1-(2-methylpropanoyloxy)propoxy]carbonylamino]propyl]phosphonous acid has a molecular weight of 327.29 g/mol, XLogP of 1.53, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-fluoro-3-[[(1R)-2-methyl-1-(2-methylpropanoyloxy)propoxy]carbonylamino]propyl]phosphonous acid is sourced from PubChem (CID 91366533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).