[(3S)-oxolan-3-yl] 2-(phosphanylamino)propanoate

C7H14NO3P — CID 175404027

IUPAC[(3S)-oxolan-3-yl] 2-(phosphanylamino)propanoate
SMILESCC(NP)C(=O)O[C@H]1CCOC1
InChIInChI=1S/C7H14NO3P/c1-5(8-12)7(9)11-6-2-3-10-4-6/h5-6,8H,2-4,12H2,1H3/t5?,6-/m0/s1
InChIKeyCUFUSLYUJHNKRH-GDVGLLTNSA-N
MW191.17 g/mol
LogP0.09
Rot. Bonds3

About [(3S)-oxolan-3-yl] 2-(phosphanylamino)propanoate

[(3S)-oxolan-3-yl] 2-(phosphanylamino)propanoate (PubChem CID 175404027) has the molecular formula C7H14NO3P and a molecular weight of 191.17 g/mol. Its IUPAC name is [(3S)-oxolan-3-yl] 2-(phosphanylamino)propanoate.

Molecular Properties

Compound Name[(3S)-oxolan-3-yl] 2-(phosphanylamino)propanoate
PubChem CID175404027
Molecular FormulaC7H14NO3P
Molecular Weight191.17 g/mol
Exact Mass191.07
IUPAC Name[(3S)-oxolan-3-yl] 2-(phosphanylamino)propanoate
SMILESCC(NP)C(=O)O[C@H]1CCOC1
InChIInChI=1S/C7H14NO3P/c1-5(8-12)7(9)11-6-2-3-10-4-6/h5-6,8H,2-4,12H2,1H3/t5?,6-/m0/s1
InChIKeyCUFUSLYUJHNKRH-GDVGLLTNSA-N
XLogP0.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.17
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(3S)-oxolan-3-yl] (2S)-2-bromopropanoate
CID 11470107
oxolan-3-yl 2-amino-4-methylpentanoate
CID 63559458
oxan-4-yl (2S)-2-(chloroamino)propanoate
CID 156835957
(2S)-2-[[(3R)-oxolan-3-yl]oxycarbonylamino]propanoic acid
CID 90999920
oxolan-3-yl (2R)-2-amino-3,3-dimethylbutanoate
CID 103927419
oxolan-3-yl 2-amino-3-hydroxy-3-methylbutanoate
CID 122539257
oxolan-3-yl 5-amino-2-methylpentanoate
CID 104686034
methyl (2R)-2-(oxolan-3-yloxy)propanoate
CID 103338002
oxolan-3-yl (2R)-2-amino-3-hydroxypropanoate
CID 80749674
[(3R)-oxolan-3-yl] hydrogen carbonate
CID 67122885
[(3S)-oxolan-3-yl] (2S)-2-[(4-tert-butylphenoxy)phosphanylamino]propanoate
CID 175877053
oxolan-3-yl 4-amino-3-methylbutanoate
CID 81072972

Frequently Asked Questions

What is the IUPAC name of [(3S)-oxolan-3-yl] 2-(phosphanylamino)propanoate?
The IUPAC name of [(3S)-oxolan-3-yl] 2-(phosphanylamino)propanoate (CID 175404027) is [(3S)-oxolan-3-yl] 2-(phosphanylamino)propanoate.
What is the SMILES notation for [(3S)-oxolan-3-yl] 2-(phosphanylamino)propanoate?
The canonical SMILES for [(3S)-oxolan-3-yl] 2-(phosphanylamino)propanoate is CC(NP)C(=O)O[C@H]1CCOC1.
What is the InChIKey of [(3S)-oxolan-3-yl] 2-(phosphanylamino)propanoate?
The InChIKey is CUFUSLYUJHNKRH-GDVGLLTNSA-N. The full InChI is InChI=1S/C7H14NO3P/c1-5(8-12)7(9)11-6-2-3-10-4-6/h5-6,8H,2-4,12H2,1H3/t5?,6-/m0/s1.
What are the key properties of [(3S)-oxolan-3-yl] 2-(phosphanylamino)propanoate?
[(3S)-oxolan-3-yl] 2-(phosphanylamino)propanoate has a molecular weight of 191.17 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-oxolan-3-yl] 2-(phosphanylamino)propanoate is sourced from PubChem (CID 175404027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).