amino 4-phosphorosobutanoate

C4H8NO3P — CID 87689252

IUPACamino 4-phosphorosobutanoate
SMILESNOC(=O)CCCP=O
InChIInChI=1S/C4H8NO3P/c5-8-4(6)2-1-3-9-7/h1-3,5H2
InChIKeyPUGFSJUEROUQJC-UHFFFAOYSA-N
MW149.09 g/mol
LogP0.48
Rot. Bonds4

About amino 4-phosphorosobutanoate

amino 4-phosphorosobutanoate (PubChem CID 87689252) has the molecular formula C4H8NO3P and a molecular weight of 149.09 g/mol. Its IUPAC name is amino 4-phosphorosobutanoate.

Molecular Properties

Compound Nameamino 4-phosphorosobutanoate
PubChem CID87689252
Molecular FormulaC4H8NO3P
Molecular Weight149.09 g/mol
Exact Mass149.02
IUPAC Nameamino 4-phosphorosobutanoate
SMILESNOC(=O)CCCP=O
InChIInChI=1S/C4H8NO3P/c5-8-4(6)2-1-3-9-7/h1-3,5H2
InChIKeyPUGFSJUEROUQJC-UHFFFAOYSA-N
XLogP0.48
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.09
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

amino 5-phosphorosopentanoate;pentanoic acid
CID 174921550
diamino tetradecanedioate
CID 174564109
sodium;diamino heptanedioate;hydride
CID 174435177
cyclohexane;diamino decanedioate
CID 70626371
amino 5-aminopentanoate
CID 22929227
amino 8-aminooctanoate
CID 87659694
amino 5-methylhexanoate
CID 18970778
amino 12-oxododecanoate
CID 57157171
amino 6-methylheptanoate
CID 54422100
amino 7,7-dimethyloctanoate
CID 156697995
7-O-amino 1-O-tert-butyl heptanedioate
CID 87227654
amino 9-oxo-9-phenylnonanoate
CID 174840256

Frequently Asked Questions

What is the IUPAC name of amino 4-phosphorosobutanoate?
The IUPAC name of amino 4-phosphorosobutanoate (CID 87689252) is amino 4-phosphorosobutanoate.
What is the SMILES notation for amino 4-phosphorosobutanoate?
The canonical SMILES for amino 4-phosphorosobutanoate is NOC(=O)CCCP=O.
What is the InChIKey of amino 4-phosphorosobutanoate?
The InChIKey is PUGFSJUEROUQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8NO3P/c5-8-4(6)2-1-3-9-7/h1-3,5H2.
What are the key properties of amino 4-phosphorosobutanoate?
amino 4-phosphorosobutanoate has a molecular weight of 149.09 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino 4-phosphorosobutanoate is sourced from PubChem (CID 87689252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).