(2S)-2-amino-3-phosphorosooxypropanoic acid

C3H6NO4P — CID 57139135

IUPAC(2S)-2-amino-3-phosphorosooxypropanoic acid
SMILESN[C@@H](COP=O)C(=O)O
InChIInChI=1S/C3H6NO4P/c4-2(3(5)6)1-8-9-7/h2H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKeyGMWNTYIFNAAXFW-REOHCLBHSA-N
MW151.06 g/mol
LogP-0.38
Rot. Bonds4

About (2S)-2-amino-3-phosphorosooxypropanoic acid

(2S)-2-amino-3-phosphorosooxypropanoic acid (PubChem CID 57139135) has the molecular formula C3H6NO4P and a molecular weight of 151.06 g/mol. Its IUPAC name is (2S)-2-amino-3-phosphorosooxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-phosphorosooxypropanoic acid
PubChem CID57139135
Molecular FormulaC3H6NO4P
Molecular Weight151.06 g/mol
Exact Mass151.00
IUPAC Name(2S)-2-amino-3-phosphorosooxypropanoic acid
SMILESN[C@@H](COP=O)C(=O)O
InChIInChI=1S/C3H6NO4P/c4-2(3(5)6)1-8-9-7/h2H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKeyGMWNTYIFNAAXFW-REOHCLBHSA-N
XLogP-0.38
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.06
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3-[(2R)-2-amino-2-carboxyethoxy]propanoic acid
CID 118658592
2-amino-5-phosphorosooxypentanoic acid;azane
CID 87481261
(2S)-3-acetyloxy-2-aminopropanoic acid
CID 88545588
(2R)-2-amino-3-(carboxymethoxy)propanoic acid
CID 87968783
(2S)-2-amino-3-(2-hydroxyacetyl)oxypropanoic acid
CID 45122522
(2S)-2-amino-3-[(3R)-3-amino-3-hydroxypropanoyl]oxypropanoic acid
CID 91534703
2-amino-3-methylsulfanyloxypropanoic acid
CID 123638438
(2R)-2-amino-3-[(2R)-2-amino-3-sulfanylpropanoyl]oxypropanoic acid
CID 87672799
(2S)-2-amino-3-propanoyloxypropanoic acid
CID 56621340
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoic acid;chloromethane
CID 160898573
2-amino-3-(2-methoxyethoxy)propanoic acid
CID 20596399

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-phosphorosooxypropanoic acid?
The IUPAC name of (2S)-2-amino-3-phosphorosooxypropanoic acid (CID 57139135) is (2S)-2-amino-3-phosphorosooxypropanoic acid.
What is the SMILES notation for (2S)-2-amino-3-phosphorosooxypropanoic acid?
The canonical SMILES for (2S)-2-amino-3-phosphorosooxypropanoic acid is N[C@@H](COP=O)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-phosphorosooxypropanoic acid?
The InChIKey is GMWNTYIFNAAXFW-REOHCLBHSA-N. The full InChI is InChI=1S/C3H6NO4P/c4-2(3(5)6)1-8-9-7/h2H,1,4H2,(H,5,6)/t2-/m0/s1.
What are the key properties of (2S)-2-amino-3-phosphorosooxypropanoic acid?
(2S)-2-amino-3-phosphorosooxypropanoic acid has a molecular weight of 151.06 g/mol, XLogP of -0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-phosphorosooxypropanoic acid is sourced from PubChem (CID 57139135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).