2-amino-3-hydroxypropanoic acid;aminophosphonic acid

C3H11N2O6P — CID 118456390

IUPAC2-amino-3-hydroxypropanoic acid;aminophosphonic acid
SMILESNC(CO)C(=O)O.NP(=O)(O)O
InChIInChI=1S/C3H7NO3.H4NO3P/c4-2(1-5)3(6)7;1-5(2,3)4/h2,5H,1,4H2,(H,6,7);(H4,1,2,3,4)
InChIKeyHXHQMRWSYMYZDT-UHFFFAOYSA-N
MW202.10 g/mol
LogP-2.57
Rot. Bonds2

About 2-amino-3-hydroxypropanoic acid;aminophosphonic acid

2-amino-3-hydroxypropanoic acid;aminophosphonic acid (PubChem CID 118456390) has the molecular formula C3H11N2O6P and a molecular weight of 202.10 g/mol. Its IUPAC name is 2-amino-3-hydroxypropanoic acid;aminophosphonic acid.

Molecular Properties

Compound Name2-amino-3-hydroxypropanoic acid;aminophosphonic acid
PubChem CID118456390
Molecular FormulaC3H11N2O6P
Molecular Weight202.10 g/mol
Exact Mass202.04
IUPAC Name2-amino-3-hydroxypropanoic acid;aminophosphonic acid
SMILESNC(CO)C(=O)O.NP(=O)(O)O
InChIInChI=1S/C3H7NO3.H4NO3P/c4-2(1-5)3(6)7;1-5(2,3)4/h2,5H,1,4H2,(H,6,7);(H4,1,2,3,4)
InChIKeyHXHQMRWSYMYZDT-UHFFFAOYSA-N
XLogP-2.57
TPSA167.10 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500202.10
LogP ≤ 5-2.57
H-Bond Donors ≤ 56
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-hydroxy(1,2,3-13C3)propanoic acid
CID 71309922
CID 157089134
CID 157089134
2-amino-3-hydroxypropanoic acid;oxalic acid
CID 174377676
2-amino-3-hydroxypropanoic acid;urea
CID 90283765
(2-amino-1-hydroxyethyl)phosphonic acid;(2S)-2-amino-3-hydroxypropanoic acid
CID 87229124
octakis(2-aminoacetic acid);bis((2S)-2-amino-3-hydroxypropanoic acid)
CID 157446719
2-aminoethyl dihydrogen phosphate;(2S)-2-amino-3-hydroxypropanoic acid
CID 170987656
(2S)-2-amino-3-hydroxypropanoic acid;isocyanic acid
CID 87840009
(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid
CID 87207256
trisodium;tris((2S)-2-amino-3-hydroxypropanoic acid);borate
CID 173145098
(2S)-2-aminobutanedioic acid;bis((2S)-2-amino-3-hydroxypropanoic acid)
CID 162130490
(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-methylbutanoic acid
CID 87148112

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxypropanoic acid;aminophosphonic acid?
The IUPAC name of 2-amino-3-hydroxypropanoic acid;aminophosphonic acid (CID 118456390) is 2-amino-3-hydroxypropanoic acid;aminophosphonic acid.
What is the SMILES notation for 2-amino-3-hydroxypropanoic acid;aminophosphonic acid?
The canonical SMILES for 2-amino-3-hydroxypropanoic acid;aminophosphonic acid is NC(CO)C(=O)O.NP(=O)(O)O.
What is the InChIKey of 2-amino-3-hydroxypropanoic acid;aminophosphonic acid?
The InChIKey is HXHQMRWSYMYZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO3.H4NO3P/c4-2(1-5)3(6)7;1-5(2,3)4/h2,5H,1,4H2,(H,6,7);(H4,1,2,3,4).
What are the key properties of 2-amino-3-hydroxypropanoic acid;aminophosphonic acid?
2-amino-3-hydroxypropanoic acid;aminophosphonic acid has a molecular weight of 202.10 g/mol, XLogP of -2.57, 2 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxypropanoic acid;aminophosphonic acid is sourced from PubChem (CID 118456390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).