phosphanyl (2S)-2-amino-3-hydroxypropanoate

C3H8NO3P — CID 174799814

IUPACphosphanyl (2S)-2-amino-3-hydroxypropanoate
SMILESN[C@@H](CO)C(=O)OP
InChIInChI=1S/C3H8NO3P/c4-2(1-5)3(6)7-8/h2,5H,1,4,8H2/t2-/m0/s1
InChIKeyCSBJEGOBIWOXBB-REOHCLBHSA-N
MW137.08 g/mol
LogP-1.36
Rot. Bonds2

About phosphanyl (2S)-2-amino-3-hydroxypropanoate

phosphanyl (2S)-2-amino-3-hydroxypropanoate (PubChem CID 174799814) has the molecular formula C3H8NO3P and a molecular weight of 137.08 g/mol. Its IUPAC name is phosphanyl (2S)-2-amino-3-hydroxypropanoate.

Molecular Properties

Compound Namephosphanyl (2S)-2-amino-3-hydroxypropanoate
PubChem CID174799814
Molecular FormulaC3H8NO3P
Molecular Weight137.08 g/mol
Exact Mass137.02
IUPAC Namephosphanyl (2S)-2-amino-3-hydroxypropanoate
SMILESN[C@@H](CO)C(=O)OP
InChIInChI=1S/C3H8NO3P/c4-2(1-5)3(6)7-8/h2,5H,1,4,8H2/t2-/m0/s1
InChIKeyCSBJEGOBIWOXBB-REOHCLBHSA-N
XLogP-1.36
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.08
LogP ≤ 5-1.36
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

methyl (2S)-2-amino-3-hydroxypropanoate
CID 2723731
2-hydroxyethyl (2S)-2-amino-3-hydroxypropanoate
CID 174781046
methyl 2-amino-3-hydroxypropanoate;hydrochloride
CID 517373
bis[[(2S)-2-amino-3-hydroxypropanoyl]oxy]-oxophosphanium
CID 174588325
(2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid
CID 71309922
propyl (2R)-2-amino-3-hydroxypropanoate
CID 55281348
[(2S)-2-amino-3-hydroxypropanoyl]oxysulfinyl (2S)-2-amino-3-hydroxypropanoate;azane
CID 175565724
propyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride
CID 131729419
2-hydroxypropanoyl (2R)-2-amino-3-hydroxypropanoate
CID 118649421
CID 59233631
CID 59233631
(3S)-3-amino-4-hydroxybutan-2-one
CID 91337493
CID 157089134
CID 157089134

Frequently Asked Questions

What is the IUPAC name of phosphanyl (2S)-2-amino-3-hydroxypropanoate?
The IUPAC name of phosphanyl (2S)-2-amino-3-hydroxypropanoate (CID 174799814) is phosphanyl (2S)-2-amino-3-hydroxypropanoate.
What is the SMILES notation for phosphanyl (2S)-2-amino-3-hydroxypropanoate?
The canonical SMILES for phosphanyl (2S)-2-amino-3-hydroxypropanoate is N[C@@H](CO)C(=O)OP.
What is the InChIKey of phosphanyl (2S)-2-amino-3-hydroxypropanoate?
The InChIKey is CSBJEGOBIWOXBB-REOHCLBHSA-N. The full InChI is InChI=1S/C3H8NO3P/c4-2(1-5)3(6)7-8/h2,5H,1,4,8H2/t2-/m0/s1.
What are the key properties of phosphanyl (2S)-2-amino-3-hydroxypropanoate?
phosphanyl (2S)-2-amino-3-hydroxypropanoate has a molecular weight of 137.08 g/mol, XLogP of -1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanyl (2S)-2-amino-3-hydroxypropanoate is sourced from PubChem (CID 174799814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).