phosphono (3R)-3-aminobutanoate

C4H10NO5P — CID 118530931

IUPACphosphono (3R)-3-aminobutanoate
SMILESC[C@@H](N)CC(=O)OP(=O)(O)O
InChIInChI=1S/C4H10NO5P/c1-3(5)2-4(6)10-11(7,8)9/h3H,2,5H2,1H3,(H2,7,8,9)/t3-/m1/s1
InChIKeyAWCNRZFLSJOXJO-GSVOUGTGSA-N
MW183.10 g/mol
LogP-0.64
Rot. Bonds3

About phosphono (3R)-3-aminobutanoate

phosphono (3R)-3-aminobutanoate (PubChem CID 118530931) has the molecular formula C4H10NO5P and a molecular weight of 183.10 g/mol. Its IUPAC name is phosphono (3R)-3-aminobutanoate.

Molecular Properties

Compound Namephosphono (3R)-3-aminobutanoate
PubChem CID118530931
Molecular FormulaC4H10NO5P
Molecular Weight183.10 g/mol
Exact Mass183.03
IUPAC Namephosphono (3R)-3-aminobutanoate
SMILESC[C@@H](N)CC(=O)OP(=O)(O)O
InChIInChI=1S/C4H10NO5P/c1-3(5)2-4(6)10-11(7,8)9/h3H,2,5H2,1H3,(H2,7,8,9)/t3-/m1/s1
InChIKeyAWCNRZFLSJOXJO-GSVOUGTGSA-N
XLogP-0.64
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.10
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (3S)-3-aminobutanoate;hydrochloride
CID 53487346
propyl 3-aminobutanoate
CID 43247954
2-methylpropanoyl 3-aminobutanoate
CID 174497316
phosphono 2-amino-3-hydroxybutanoate
CID 23421193
phosphono 2-hydroxyacetate
CID 22320969
[(2R)-2-aminopropyl] dihydrogen phosphate
CID 91096185
phosphono butanoate
CID 266
[(2S)-2-aminopropyl] dihydrogen phosphate
CID 87075669
trifluoromethyl 3-aminobutanoate
CID 88794743
3-aminopropanoyl 3-aminobutaneperoxoate
CID 177190479
phosphono butanoate;phosphoric acid
CID 175184207
phosphono 2-(methylamino)acetate
CID 54056266

Frequently Asked Questions

What is the IUPAC name of phosphono (3R)-3-aminobutanoate?
The IUPAC name of phosphono (3R)-3-aminobutanoate (CID 118530931) is phosphono (3R)-3-aminobutanoate.
What is the SMILES notation for phosphono (3R)-3-aminobutanoate?
The canonical SMILES for phosphono (3R)-3-aminobutanoate is C[C@@H](N)CC(=O)OP(=O)(O)O.
What is the InChIKey of phosphono (3R)-3-aminobutanoate?
The InChIKey is AWCNRZFLSJOXJO-GSVOUGTGSA-N. The full InChI is InChI=1S/C4H10NO5P/c1-3(5)2-4(6)10-11(7,8)9/h3H,2,5H2,1H3,(H2,7,8,9)/t3-/m1/s1.
What are the key properties of phosphono (3R)-3-aminobutanoate?
phosphono (3R)-3-aminobutanoate has a molecular weight of 183.10 g/mol, XLogP of -0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phosphono (3R)-3-aminobutanoate is sourced from PubChem (CID 118530931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).