(2-amino-3-oxopent-4-en-2-yl)phosphonic acid

C5H10NO4P — CID 150100333

IUPAC(2-amino-3-oxopent-4-en-2-yl)phosphonic acid
SMILESC=CC(=O)C(C)(N)P(=O)(O)O
InChIInChI=1S/C5H10NO4P/c1-3-4(7)5(2,6)11(8,9)10/h3H,1,6H2,2H3,(H2,8,9,10)
InChIKeyDVCDJOROMWXZCL-UHFFFAOYSA-N
MW179.11 g/mol
LogP-0.41
Rot. Bonds3

About (2-amino-3-oxopent-4-en-2-yl)phosphonic acid

(2-amino-3-oxopent-4-en-2-yl)phosphonic acid (PubChem CID 150100333) has the molecular formula C5H10NO4P and a molecular weight of 179.11 g/mol. Its IUPAC name is (2-amino-3-oxopent-4-en-2-yl)phosphonic acid.

Molecular Properties

Compound Name(2-amino-3-oxopent-4-en-2-yl)phosphonic acid
PubChem CID150100333
Molecular FormulaC5H10NO4P
Molecular Weight179.11 g/mol
Exact Mass179.03
IUPAC Name(2-amino-3-oxopent-4-en-2-yl)phosphonic acid
SMILESC=CC(=O)C(C)(N)P(=O)(O)O
InChIInChI=1S/C5H10NO4P/c1-3-4(7)5(2,6)11(8,9)10/h3H,1,6H2,2H3,(H2,8,9,10)
InChIKeyDVCDJOROMWXZCL-UHFFFAOYSA-N
XLogP-0.41
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.11
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4,4-difluoropent-1-en-3-one
CID 89392918
phosphoric acid;bis(prop-2-enamide)
CID 175358091
4-[amino(methyl)amino]-4-methylpent-1-en-3-one
CID 174600762
[hydroxy-(4-methyl-3,5-dioxohepta-1,6-dien-4-yl)oxyphosphoryl] prop-2-enoate
CID 89183902
[2-[[hydroxy-[2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propoxy]phosphoryl]oxymethyl]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate
CID 171853521
4-(ethylamino)-4-methylpent-1-en-3-one
CID 116566077
N-[1-amino-1-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 87509338
tert-butyl-λ2-stannane;tris(prop-2-enoic acid)
CID 173132453
4-amino-4-methylpentadec-1-en-3-one
CID 168863815
(8R)-8-amino-7-oxo-8-phosphonononanoic acid
CID 100986960
phosphono 2-ethoxy-2-methyl-3-oxopent-4-enoate
CID 174813927
2-methyl-3-oxopent-4-ene-2-sulfonic acid
CID 140997658

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-oxopent-4-en-2-yl)phosphonic acid?
The IUPAC name of (2-amino-3-oxopent-4-en-2-yl)phosphonic acid (CID 150100333) is (2-amino-3-oxopent-4-en-2-yl)phosphonic acid.
What is the SMILES notation for (2-amino-3-oxopent-4-en-2-yl)phosphonic acid?
The canonical SMILES for (2-amino-3-oxopent-4-en-2-yl)phosphonic acid is C=CC(=O)C(C)(N)P(=O)(O)O.
What is the InChIKey of (2-amino-3-oxopent-4-en-2-yl)phosphonic acid?
The InChIKey is DVCDJOROMWXZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NO4P/c1-3-4(7)5(2,6)11(8,9)10/h3H,1,6H2,2H3,(H2,8,9,10).
What are the key properties of (2-amino-3-oxopent-4-en-2-yl)phosphonic acid?
(2-amino-3-oxopent-4-en-2-yl)phosphonic acid has a molecular weight of 179.11 g/mol, XLogP of -0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-oxopent-4-en-2-yl)phosphonic acid is sourced from PubChem (CID 150100333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).