phosphoroso 2-iminopropanoate

C3H4NO3P — CID 174369314

IUPACphosphoroso 2-iminopropanoate
SMILES[H]/N=C(\C)C(=O)OP=O
InChIInChI=1S/C3H4NO3P/c1-2(4)3(5)7-8-6/h4H,1H3/b4-2+
InChIKeyGOYCNFPDWBMCAM-DUXPYHPUSA-N
MW133.04 g/mol
LogP0.78
Rot. Bonds2

About phosphoroso 2-iminopropanoate

phosphoroso 2-iminopropanoate (PubChem CID 174369314) has the molecular formula C3H4NO3P and a molecular weight of 133.04 g/mol. Its IUPAC name is phosphoroso 2-iminopropanoate.

Molecular Properties

Compound Namephosphoroso 2-iminopropanoate
PubChem CID174369314
Molecular FormulaC3H4NO3P
Molecular Weight133.04 g/mol
Exact Mass132.99
IUPAC Namephosphoroso 2-iminopropanoate
SMILES[H]/N=C(\C)C(=O)OP=O
InChIInChI=1S/C3H4NO3P/c1-2(4)3(5)7-8-6/h4H,1H3/b4-2+
InChIKeyGOYCNFPDWBMCAM-DUXPYHPUSA-N
XLogP0.78
TPSA67.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.04
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethylsulfonyl 2-iminopropanoate
CID 174291468
2-methylpropyl 2-iminopropanoate
CID 91480020
prop-2-enyl 2-iminopropanoate
CID 175216018
3-iminobutan-2-one;hydrochloride
CID 91594122
methyl 3-imino-2-methylidenebutanoate
CID 91520499
methyl (Z)-2-ethanimidoyl-3-hydroxybut-2-enoate
CID 135482629
methyl 2-ethanimidoyl-3-hydroxybut-2-enoate
CID 135420610
heptyl 2-iminopropanoate
CID 174678170
1,1-dicyclohexylethyl 2-iminopropanoate
CID 123241890
2-iminopentan-3-one;methanol
CID 144635571
bromomethane;ethane;ethyl 2-iminopropanoate;toluene
CID 142411253
ethyl (Z)-2-ethanimidoyl-4,4,4-trifluoro-3-methylbut-2-enoate
CID 153192263

Frequently Asked Questions

What is the IUPAC name of phosphoroso 2-iminopropanoate?
The IUPAC name of phosphoroso 2-iminopropanoate (CID 174369314) is phosphoroso 2-iminopropanoate.
What is the SMILES notation for phosphoroso 2-iminopropanoate?
The canonical SMILES for phosphoroso 2-iminopropanoate is [H]/N=C(\C)C(=O)OP=O.
What is the InChIKey of phosphoroso 2-iminopropanoate?
The InChIKey is GOYCNFPDWBMCAM-DUXPYHPUSA-N. The full InChI is InChI=1S/C3H4NO3P/c1-2(4)3(5)7-8-6/h4H,1H3/b4-2+.
What are the key properties of phosphoroso 2-iminopropanoate?
phosphoroso 2-iminopropanoate has a molecular weight of 133.04 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoroso 2-iminopropanoate is sourced from PubChem (CID 174369314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).