2-amino-2-methyl-3-phosphonooxypropanoic acid

C4H10NO6P — CID 3964633

IUPAC2-amino-2-methyl-3-phosphonooxypropanoic acid
SMILESCC(N)(COP(=O)(O)O)C(=O)O
InChIInChI=1S/C4H10NO6P/c1-4(5,3(6)7)2-11-12(8,9)10/h2,5H2,1H3,(H,6,7)(H2,8,9,10)
InChIKeyGSFCOAGADOGIGE-UHFFFAOYSA-N
MW199.10 g/mol
LogP-1.10
Rot. Bonds4

About 2-amino-2-methyl-3-phosphonooxypropanoic acid

2-amino-2-methyl-3-phosphonooxypropanoic acid (PubChem CID 3964633) has the molecular formula C4H10NO6P and a molecular weight of 199.10 g/mol. Its IUPAC name is 2-amino-2-methyl-3-phosphonooxypropanoic acid.

Molecular Properties

Compound Name2-amino-2-methyl-3-phosphonooxypropanoic acid
PubChem CID3964633
Molecular FormulaC4H10NO6P
Molecular Weight199.10 g/mol
Exact Mass199.02
IUPAC Name2-amino-2-methyl-3-phosphonooxypropanoic acid
SMILESCC(N)(COP(=O)(O)O)C(=O)O
InChIInChI=1S/C4H10NO6P/c1-4(5,3(6)7)2-11-12(8,9)10/h2,5H2,1H3,(H,6,7)(H2,8,9,10)
InChIKeyGSFCOAGADOGIGE-UHFFFAOYSA-N
XLogP-1.10
TPSA130.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.10
LogP ≤ 5-1.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-phosphonooxyethane-1,1,1-tricarboxylic acid
CID 87407138
(2S)-2-amino-2-methylbutanoic acid
CID 6971276
(2S)-2-amino-2-methyl-4-phosphonobutanoic acid chloride
CID 53313139
2-amino-4-methoxy-2-methylbutanoic acid
CID 18323200
[2-amino-2-(hydroxymethyl)but-3-enyl] dihydrogen phosphate
CID 121321605
2,2-difluorobutyl dihydrogen phosphate
CID 151010291
2,2,2-trimethoxyethyl dihydrogen phosphate
CID 54493735
(2-hydroxy-2-methyl-3-oxopropyl) dihydrogen phosphate
CID 90769020
2-amino-3-fluoro-2-methylpropanoic acid
CID 10898956
2,7-diamino-2,7-dimethyloctanedioic acid
CID 18936054
2,2,2-trichloroethyl dihydrogen phosphate
CID 5563
tert-butyl phosphonooxymethyl carbonate
CID 89472425

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-3-phosphonooxypropanoic acid?
The IUPAC name of 2-amino-2-methyl-3-phosphonooxypropanoic acid (CID 3964633) is 2-amino-2-methyl-3-phosphonooxypropanoic acid.
What is the SMILES notation for 2-amino-2-methyl-3-phosphonooxypropanoic acid?
The canonical SMILES for 2-amino-2-methyl-3-phosphonooxypropanoic acid is CC(N)(COP(=O)(O)O)C(=O)O.
What is the InChIKey of 2-amino-2-methyl-3-phosphonooxypropanoic acid?
The InChIKey is GSFCOAGADOGIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NO6P/c1-4(5,3(6)7)2-11-12(8,9)10/h2,5H2,1H3,(H,6,7)(H2,8,9,10).
What are the key properties of 2-amino-2-methyl-3-phosphonooxypropanoic acid?
2-amino-2-methyl-3-phosphonooxypropanoic acid has a molecular weight of 199.10 g/mol, XLogP of -1.10, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-3-phosphonooxypropanoic acid is sourced from PubChem (CID 3964633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).