(2-amino-3,3-dihydroxyprop-2-enyl)phosphonic acid

C3H8NO5P — CID 59034182

IUPAC(2-amino-3,3-dihydroxyprop-2-enyl)phosphonic acid
SMILESNC(CP(=O)(O)O)=C(O)O
InChIInChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h5-6H,1,4H2,(H2,7,8,9)
InChIKeyVJSULWFVTPCZPJ-UHFFFAOYSA-N
MW169.07 g/mol
LogP-0.59
Rot. Bonds2

About (2-amino-3,3-dihydroxyprop-2-enyl)phosphonic acid

(2-amino-3,3-dihydroxyprop-2-enyl)phosphonic acid (PubChem CID 59034182) has the molecular formula C3H8NO5P and a molecular weight of 169.07 g/mol. Its IUPAC name is (2-amino-3,3-dihydroxyprop-2-enyl)phosphonic acid.

Molecular Properties

Compound Name(2-amino-3,3-dihydroxyprop-2-enyl)phosphonic acid
PubChem CID59034182
Molecular FormulaC3H8NO5P
Molecular Weight169.07 g/mol
Exact Mass169.01
IUPAC Name(2-amino-3,3-dihydroxyprop-2-enyl)phosphonic acid
SMILESNC(CP(=O)(O)O)=C(O)O
InChIInChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h5-6H,1,4H2,(H2,7,8,9)
InChIKeyVJSULWFVTPCZPJ-UHFFFAOYSA-N
XLogP-0.59
TPSA124.01 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.07
LogP ≤ 5-0.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-phosphonoacetic acid;zirconium
CID 87438381
N,N-dimethylmethanamine;2-phosphonoacetic acid
CID 174478307
hydrazine;phosphonophosphonic acid
CID 173356287
(2-bromo-2-oxoethyl)phosphonic acid
CID 87391057
aminomethylphosphonic acid;azane
CID 173452353
aminomethylphosphonic acid;hydrate
CID 172785575
carbamic acid;diaminophosphinic acid
CID 158832791
2-dihydroxyphosphinothioylacetic acid;2-phosphonoacetic acid
CID 157277626
2-phosphonoacetic acid;prop-2-enoic acid
CID 175306735
hydrogen peroxide;phosphoric acid
CID 18509931
sodium 2-phosphonoacetate
CID 70692044
acetamide;phosphonomethylphosphonic acid
CID 19382971

Frequently Asked Questions

What is the IUPAC name of (2-amino-3,3-dihydroxyprop-2-enyl)phosphonic acid?
The IUPAC name of (2-amino-3,3-dihydroxyprop-2-enyl)phosphonic acid (CID 59034182) is (2-amino-3,3-dihydroxyprop-2-enyl)phosphonic acid.
What is the SMILES notation for (2-amino-3,3-dihydroxyprop-2-enyl)phosphonic acid?
The canonical SMILES for (2-amino-3,3-dihydroxyprop-2-enyl)phosphonic acid is NC(CP(=O)(O)O)=C(O)O.
What is the InChIKey of (2-amino-3,3-dihydroxyprop-2-enyl)phosphonic acid?
The InChIKey is VJSULWFVTPCZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h5-6H,1,4H2,(H2,7,8,9).
What are the key properties of (2-amino-3,3-dihydroxyprop-2-enyl)phosphonic acid?
(2-amino-3,3-dihydroxyprop-2-enyl)phosphonic acid has a molecular weight of 169.07 g/mol, XLogP of -0.59, 2 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3,3-dihydroxyprop-2-enyl)phosphonic acid is sourced from PubChem (CID 59034182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).