2-amino-2-phosphonoacetic acid

C2H6NO5P — CID 14104870

IUPAC2-amino-2-phosphonoacetic acid
SMILESNC(C(=O)O)P(=O)(O)O
InChIInChI=1S/C2H6NO5P/c3-1(2(4)5)9(6,7)8/h1H,3H2,(H,4,5)(H2,6,7,8)
InChIKeyXWGFDGPRLZVXCF-UHFFFAOYSA-N
MW155.05 g/mol
LogP-1.47
Rot. Bonds2

About 2-amino-2-phosphonoacetic acid

2-amino-2-phosphonoacetic acid (PubChem CID 14104870) has the molecular formula C2H6NO5P and a molecular weight of 155.05 g/mol. Its IUPAC name is 2-amino-2-phosphonoacetic acid.

Molecular Properties

Compound Name2-amino-2-phosphonoacetic acid
PubChem CID14104870
Molecular FormulaC2H6NO5P
Molecular Weight155.05 g/mol
Exact Mass155.00
IUPAC Name2-amino-2-phosphonoacetic acid
SMILESNC(C(=O)O)P(=O)(O)O
InChIInChI=1S/C2H6NO5P/c3-1(2(4)5)9(6,7)8/h1H,3H2,(H,4,5)(H2,6,7,8)
InChIKeyXWGFDGPRLZVXCF-UHFFFAOYSA-N
XLogP-1.47
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.05
LogP ≤ 5-1.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

aminophosphonic acid;(2R)-2-aminopropanoic acid
CID 118047649
(2S)-2,6-diamino-4-phosphonohexanoic acid
CID 87167786
2-amino-3-hydroxypropanoic acid;aminophosphonic acid
CID 118456390
(E,2R)-2-amino-5-phosphonopent-3-enoic acid
CID 14061809
dipotassium;2,3-dihydroxybutanedioic acid;hydrogen phosphate
CID 158028853
[amino(phosphono)methyl]-trihydroxyphosphanium
CID 89151684
[(1R)-1-aminoethyl]phosphonic acid;hydrochloride
CID 88516256
2-amino-3-phosphonosulfanylpropanoic acid
CID 4628124
(2-amino-1-hydroxyethyl)phosphonic acid;(2S)-2-amino-3-hydroxypropanoic acid
CID 87229124
(E,2R)-2-amino-4-fluoro-5-phosphonopent-3-enoic acid
CID 18647022
carbamic acid;diaminophosphinic acid
CID 158832791
(2S,3R)-2-amino-5-methyl-3-(phosphonomethyl)hexanoic acid
CID 139090263

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phosphonoacetic acid?
The IUPAC name of 2-amino-2-phosphonoacetic acid (CID 14104870) is 2-amino-2-phosphonoacetic acid.
What is the SMILES notation for 2-amino-2-phosphonoacetic acid?
The canonical SMILES for 2-amino-2-phosphonoacetic acid is NC(C(=O)O)P(=O)(O)O.
What is the InChIKey of 2-amino-2-phosphonoacetic acid?
The InChIKey is XWGFDGPRLZVXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6NO5P/c3-1(2(4)5)9(6,7)8/h1H,3H2,(H,4,5)(H2,6,7,8).
What are the key properties of 2-amino-2-phosphonoacetic acid?
2-amino-2-phosphonoacetic acid has a molecular weight of 155.05 g/mol, XLogP of -1.47, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phosphonoacetic acid is sourced from PubChem (CID 14104870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).