[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphonous acid

C6H14NO4P — CID 144985569

IUPAC[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphonous acid
SMILESCC(C)OC(=O)[C@H](C)NP(O)O
InChIInChI=1S/C6H14NO4P/c1-4(2)11-6(8)5(3)7-12(9)10/h4-5,7,9-10H,1-3H3/t5-/m0/s1
InChIKeyYNXIFEHUVPWZQD-YFKPBYRVSA-N
MW195.15 g/mol
LogP0.13
Rot. Bonds4

About [[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphonous acid

[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphonous acid (PubChem CID 144985569) has the molecular formula C6H14NO4P and a molecular weight of 195.15 g/mol. Its IUPAC name is [[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphonous acid.

Molecular Properties

Compound Name[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphonous acid
PubChem CID144985569
Molecular FormulaC6H14NO4P
Molecular Weight195.15 g/mol
Exact Mass195.07
IUPAC Name[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphonous acid
SMILESCC(C)OC(=O)[C@H](C)NP(O)O
InChIInChI=1S/C6H14NO4P/c1-4(2)11-6(8)5(3)7-12(9)10/h4-5,7,9-10H,1-3H3/t5-/m0/s1
InChIKeyYNXIFEHUVPWZQD-YFKPBYRVSA-N
XLogP0.13
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.15
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]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

chloro-N-(1-oxo-1-propan-2-yloxypropan-2-yl)phosphonamidous acid
CID 123139392
propan-2-yl 2-(methylphosphanylamino)propanoate
CID 145444440
propan-2-yl (2S)-2-(iodoamino)propanoate
CID 122534209
propan-2-yl (2R)-2-acetamidopropanoate
CID 165357542
propan-2-yl (2S)-2-(ethylamino)propanoate
CID 134571850
ethane;propan-2-yl (2R)-2-[[methyl(phenoxy)phosphanyl]amino]propanoate
CID 144948822
propan-2-yl (2S)-2-[[chloro-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]amino]propanoate
CID 87153753
propan-2-yl (2R)-2-(dimethylphosphinothioylamino)propanoate
CID 167499810
propan-2-yl 2-[[chloro-(4-chlorophenoxy)phosphanyl]amino]propanoate
CID 144828748
dipropan-2-yl 2-aminopropanedioate
CID 141226348
propan-2-yl (2S)-2-aminopropanoate
CID 13089460
propan-2-yl 2-aminopropanoate
CID 11804791

Frequently Asked Questions

What is the IUPAC name of [[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphonous acid?
The IUPAC name of [[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphonous acid (CID 144985569) is [[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphonous acid.
What is the SMILES notation for [[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphonous acid?
The canonical SMILES for [[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphonous acid is CC(C)OC(=O)[C@H](C)NP(O)O.
What is the InChIKey of [[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphonous acid?
The InChIKey is YNXIFEHUVPWZQD-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H14NO4P/c1-4(2)11-6(8)5(3)7-12(9)10/h4-5,7,9-10H,1-3H3/t5-/m0/s1.
What are the key properties of [[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphonous acid?
[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphonous acid has a molecular weight of 195.15 g/mol, XLogP of 0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphonous acid is sourced from PubChem (CID 144985569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).