(2-amino-1-hydroxyethyl)phosphonic acid;(2S)-2-amino-3-hydroxypropanoic acid

C5H15N2O7P — CID 87229124

IUPAC(2-amino-1-hydroxyethyl)phosphonic acid;(2S)-2-amino-3-hydroxypropanoic acid
SMILESNCC(O)P(=O)(O)O.N[C@@H](CO)C(=O)O
InChIInChI=1S/C3H7NO3.C2H8NO4P/c4-2(1-5)3(6)7;3-1-2(4)8(5,6)7/h2,5H,1,4H2,(H,6,7);2,4H,1,3H2,(H2,5,6,7)/t2-;/m0./s1
InChIKeyBXSFTTCZUIBDNT-DKWTVANSSA-N
MW246.16 g/mol
LogP-3.17
Rot. Bonds4

About (2-amino-1-hydroxyethyl)phosphonic acid;(2S)-2-amino-3-hydroxypropanoic acid

(2-amino-1-hydroxyethyl)phosphonic acid;(2S)-2-amino-3-hydroxypropanoic acid (PubChem CID 87229124) has the molecular formula C5H15N2O7P and a molecular weight of 246.16 g/mol. Its IUPAC name is (2-amino-1-hydroxyethyl)phosphonic acid;(2S)-2-amino-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2-amino-1-hydroxyethyl)phosphonic acid;(2S)-2-amino-3-hydroxypropanoic acid
PubChem CID87229124
Molecular FormulaC5H15N2O7P
Molecular Weight246.16 g/mol
Exact Mass246.06
IUPAC Name(2-amino-1-hydroxyethyl)phosphonic acid;(2S)-2-amino-3-hydroxypropanoic acid
SMILESNCC(O)P(=O)(O)O.N[C@@H](CO)C(=O)O
InChIInChI=1S/C3H7NO3.C2H8NO4P/c4-2(1-5)3(6)7;3-1-2(4)8(5,6)7/h2,5H,1,4H2,(H,6,7);2,4H,1,3H2,(H2,5,6,7)/t2-;/m0./s1
InChIKeyBXSFTTCZUIBDNT-DKWTVANSSA-N
XLogP-3.17
TPSA187.33 Ų
H-Bond Donors7
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.16
LogP ≤ 5-3.17
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2-amino-1-hydroxyethyl)phosphonic acid;(2S)-2-amino-3-hydroxypropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3-hydroxypropanoic acid;aminophosphonic acid
CID 118456390
(2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid
CID 71309922
CID 157089134
CID 157089134
octakis(2-aminoacetic acid);bis((2S)-2-amino-3-hydroxypropanoic acid)
CID 157446719
2-amino-3-hydroxypropanoic acid;urea
CID 90283765
2-amino-3-hydroxypropanoic acid;oxalic acid
CID 174377676
2-aminoethyl dihydrogen phosphate;(2S)-2-amino-3-hydroxypropanoic acid
CID 170987656
(2R,3S)-2-amino-3-hydroxybutanoic acid;(2R)-2-amino-3-hydroxypropanoic acid
CID 87257146
2,6-diamino-5-hydroxyhexanoic acid;phosphoric acid
CID 21126144
2,3-diaminopropanoic acid
CID 160927094
(2S)-2-aminobutanedioic acid;bis((2S)-2-amino-3-hydroxypropanoic acid)
CID 162130490
(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid
CID 87207256

Frequently Asked Questions

What is the IUPAC name of (2-amino-1-hydroxyethyl)phosphonic acid;(2S)-2-amino-3-hydroxypropanoic acid?
The IUPAC name of (2-amino-1-hydroxyethyl)phosphonic acid;(2S)-2-amino-3-hydroxypropanoic acid (CID 87229124) is (2-amino-1-hydroxyethyl)phosphonic acid;(2S)-2-amino-3-hydroxypropanoic acid.
What is the SMILES notation for (2-amino-1-hydroxyethyl)phosphonic acid;(2S)-2-amino-3-hydroxypropanoic acid?
The canonical SMILES for (2-amino-1-hydroxyethyl)phosphonic acid;(2S)-2-amino-3-hydroxypropanoic acid is NCC(O)P(=O)(O)O.N[C@@H](CO)C(=O)O.
What is the InChIKey of (2-amino-1-hydroxyethyl)phosphonic acid;(2S)-2-amino-3-hydroxypropanoic acid?
The InChIKey is BXSFTTCZUIBDNT-DKWTVANSSA-N. The full InChI is InChI=1S/C3H7NO3.C2H8NO4P/c4-2(1-5)3(6)7;3-1-2(4)8(5,6)7/h2,5H,1,4H2,(H,6,7);2,4H,1,3H2,(H2,5,6,7)/t2-;/m0./s1.
What are the key properties of (2-amino-1-hydroxyethyl)phosphonic acid;(2S)-2-amino-3-hydroxypropanoic acid?
(2-amino-1-hydroxyethyl)phosphonic acid;(2S)-2-amino-3-hydroxypropanoic acid has a molecular weight of 246.16 g/mol, XLogP of -3.17, 4 rotatable bonds, 7 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1-hydroxyethyl)phosphonic acid;(2S)-2-amino-3-hydroxypropanoic acid is sourced from PubChem (CID 87229124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).