2-[[methoxy(propan-2-yloxycarbonyloxy)phosphoryl]amino]propanoic acid

C8H16NO7P — CID 175138863

IUPAC2-[[methoxy(propan-2-yloxycarbonyloxy)phosphoryl]amino]propanoic acid
SMILESCOP(=O)(NC(C)C(=O)O)OC(=O)OC(C)C
InChIInChI=1S/C8H16NO7P/c1-5(2)15-8(12)16-17(13,14-4)9-6(3)7(10)11/h5-6H,1-4H3,(H,9,13)(H,10,11)
InChIKeyIWBZBVAAYJHYCH-UHFFFAOYSA-N
MW269.19 g/mol
LogP1.37
Rot. Bonds6

About 2-[[methoxy(propan-2-yloxycarbonyloxy)phosphoryl]amino]propanoic acid

2-[[methoxy(propan-2-yloxycarbonyloxy)phosphoryl]amino]propanoic acid (PubChem CID 175138863) has the molecular formula C8H16NO7P and a molecular weight of 269.19 g/mol. Its IUPAC name is 2-[[methoxy(propan-2-yloxycarbonyloxy)phosphoryl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[methoxy(propan-2-yloxycarbonyloxy)phosphoryl]amino]propanoic acid
PubChem CID175138863
Molecular FormulaC8H16NO7P
Molecular Weight269.19 g/mol
Exact Mass269.07
IUPAC Name2-[[methoxy(propan-2-yloxycarbonyloxy)phosphoryl]amino]propanoic acid
SMILESCOP(=O)(NC(C)C(=O)O)OC(=O)OC(C)C
InChIInChI=1S/C8H16NO7P/c1-5(2)15-8(12)16-17(13,14-4)9-6(3)7(10)11/h5-6H,1-4H3,(H,9,13)(H,10,11)
InChIKeyIWBZBVAAYJHYCH-UHFFFAOYSA-N
XLogP1.37
TPSA111.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 51.37
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-[[methoxy(propan-2-yloxycarbonyloxy)phosphoryl]amino]cyclobutane-1-carboxylic acid
CID 175588209
2-[[methoxy(methyl)phosphoryl]amino]propanoic acid
CID 123444426
propan-2-yl (2S)-2-[[methoxy(phenoxy)phosphoryl]amino]propanoate
CID 90055745
propan-2-yl 2-[[chloro(methoxy)phosphoryl]amino]propanoate
CID 174884587
(2S)-2-(dibutoxyphosphorylamino)propanoic acid
CID 71351909
(2S)-2-(dimethoxyphosphorylamino)-3-methylpentanoic acid
CID 102145882
propan-2-yl (2S)-2-(diphenoxyphosphorylamino)propanoate
CID 90392548
(2S)-2-[[ethoxy(hydroxy)phosphoryl]amino]propanoic acid
CID 159867621
acetic acid;dimethylphosphoryloxymethane
CID 174989212
(2R)-2-[[ethoxy(hydroxy)phosphoryl]amino]propanoic acid;tungsten
CID 170514941
propan-2-yl N-sulfanylcarbamate
CID 57037214
propan-2-yl (2S)-2-[[chloro-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]amino]propanoate
CID 87153753

Frequently Asked Questions

What is the IUPAC name of 2-[[methoxy(propan-2-yloxycarbonyloxy)phosphoryl]amino]propanoic acid?
The IUPAC name of 2-[[methoxy(propan-2-yloxycarbonyloxy)phosphoryl]amino]propanoic acid (CID 175138863) is 2-[[methoxy(propan-2-yloxycarbonyloxy)phosphoryl]amino]propanoic acid.
What is the SMILES notation for 2-[[methoxy(propan-2-yloxycarbonyloxy)phosphoryl]amino]propanoic acid?
The canonical SMILES for 2-[[methoxy(propan-2-yloxycarbonyloxy)phosphoryl]amino]propanoic acid is COP(=O)(NC(C)C(=O)O)OC(=O)OC(C)C.
What is the InChIKey of 2-[[methoxy(propan-2-yloxycarbonyloxy)phosphoryl]amino]propanoic acid?
The InChIKey is IWBZBVAAYJHYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO7P/c1-5(2)15-8(12)16-17(13,14-4)9-6(3)7(10)11/h5-6H,1-4H3,(H,9,13)(H,10,11).
What are the key properties of 2-[[methoxy(propan-2-yloxycarbonyloxy)phosphoryl]amino]propanoic acid?
2-[[methoxy(propan-2-yloxycarbonyloxy)phosphoryl]amino]propanoic acid has a molecular weight of 269.19 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methoxy(propan-2-yloxycarbonyloxy)phosphoryl]amino]propanoic acid is sourced from PubChem (CID 175138863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).