methyl (3R)-3-(phosphanylamino)butanoate

C5H12NO2P — CID 59118777

IUPACmethyl (3R)-3-(phosphanylamino)butanoate
SMILESCOC(=O)C[C@@H](C)NP
InChIInChI=1S/C5H12NO2P/c1-4(6-9)3-5(7)8-2/h4,6H,3,9H2,1-2H3/t4-/m1/s1
InChIKeyTYHTXSWKRKBNNI-SCSAIBSYSA-N
MW149.13 g/mol
LogP0.32
Rot. Bonds3

About methyl (3R)-3-(phosphanylamino)butanoate

methyl (3R)-3-(phosphanylamino)butanoate (PubChem CID 59118777) has the molecular formula C5H12NO2P and a molecular weight of 149.13 g/mol. Its IUPAC name is methyl (3R)-3-(phosphanylamino)butanoate.

Molecular Properties

Compound Namemethyl (3R)-3-(phosphanylamino)butanoate
PubChem CID59118777
Molecular FormulaC5H12NO2P
Molecular Weight149.13 g/mol
Exact Mass149.06
IUPAC Namemethyl (3R)-3-(phosphanylamino)butanoate
SMILESCOC(=O)C[C@@H](C)NP
InChIInChI=1S/C5H12NO2P/c1-4(6-9)3-5(7)8-2/h4,6H,3,9H2,1-2H3/t4-/m1/s1
InChIKeyTYHTXSWKRKBNNI-SCSAIBSYSA-N
XLogP0.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.13
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-(phosphanylamino)butanoate?
The IUPAC name of methyl (3R)-3-(phosphanylamino)butanoate (CID 59118777) is methyl (3R)-3-(phosphanylamino)butanoate.
What is the SMILES notation for methyl (3R)-3-(phosphanylamino)butanoate?
The canonical SMILES for methyl (3R)-3-(phosphanylamino)butanoate is COC(=O)C[C@@H](C)NP.
What is the InChIKey of methyl (3R)-3-(phosphanylamino)butanoate?
The InChIKey is TYHTXSWKRKBNNI-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H12NO2P/c1-4(6-9)3-5(7)8-2/h4,6H,3,9H2,1-2H3/t4-/m1/s1.
What are the key properties of methyl (3R)-3-(phosphanylamino)butanoate?
methyl (3R)-3-(phosphanylamino)butanoate has a molecular weight of 149.13 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-(phosphanylamino)butanoate is sourced from PubChem (CID 59118777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).