(3R,5R)-3-methyl-5-[(1S)-1-(phosphanylamino)ethyl]oxolan-2-one

C7H14NO2P — CID 58714916

IUPAC(3R,5R)-3-methyl-5-[(1S)-1-(phosphanylamino)ethyl]oxolan-2-one
SMILESC[C@@H]1C[C@H]([C@H](C)NP)OC1=O
InChIInChI=1S/C7H14NO2P/c1-4-3-6(5(2)8-11)10-7(4)9/h4-6,8H,3,11H2,1-2H3/t4-,5+,6-/m1/s1
InChIKeyRVFFVRPFXZIRSM-NGJCXOISSA-N
MW175.17 g/mol
LogP0.71
Rot. Bonds2

About (3R,5R)-3-methyl-5-[(1S)-1-(phosphanylamino)ethyl]oxolan-2-one

(3R,5R)-3-methyl-5-[(1S)-1-(phosphanylamino)ethyl]oxolan-2-one (PubChem CID 58714916) has the molecular formula C7H14NO2P and a molecular weight of 175.17 g/mol. Its IUPAC name is (3R,5R)-3-methyl-5-[(1S)-1-(phosphanylamino)ethyl]oxolan-2-one.

Molecular Properties

Compound Name(3R,5R)-3-methyl-5-[(1S)-1-(phosphanylamino)ethyl]oxolan-2-one
PubChem CID58714916
Molecular FormulaC7H14NO2P
Molecular Weight175.17 g/mol
Exact Mass175.08
IUPAC Name(3R,5R)-3-methyl-5-[(1S)-1-(phosphanylamino)ethyl]oxolan-2-one
SMILESC[C@@H]1C[C@H]([C@H](C)NP)OC1=O
InChIInChI=1S/C7H14NO2P/c1-4-3-6(5(2)8-11)10-7(4)9/h4-6,8H,3,11H2,1-2H3/t4-,5+,6-/m1/s1
InChIKeyRVFFVRPFXZIRSM-NGJCXOISSA-N
XLogP0.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.17
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(1-Amino-2,2,2-trifluoroethyl)-4-methyloxolan-2-one
CID 129996200
(4R,5R)-5-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-methyloxolan-2-one
CID 130984888
5-(1-Aminoethyl)-3-methyloxolan-2-one
CID 20726918
5-(1-Aminoethyl)oxolan-2-one
CID 55289249
(3R,5S)-3-methyl-5-[(1S)-1-(phosphanylamino)ethyl]oxolan-2-one
CID 58714848
3-Methyl-5-[1-(methylamino)ethyl]oxolan-2-one
CID 59877196
(3R)-5-[1-(diphosphanylamino)ethyl]-3-methyloxolan-2-one
CID 59977169
(3R,5S)-5-[(S)-1-amino-2-hydroxyethyl]-3-methyldihydrofuran-2-one hydrochloride
CID 66645577
(3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-methyloxolan-2-one
CID 66645578
5-(1-Amino-3-methylbutyl)oxolan-2-one
CID 130023353
(5R)-5-[(1S)-1-(phosphanylamino)ethyl]oxolan-2-one
CID 141916482
(5S)-5-[(1S)-1-(phosphanylamino)ethyl]oxolan-2-one
CID 154534304

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3-methyl-5-[(1S)-1-(phosphanylamino)ethyl]oxolan-2-one?
The IUPAC name of (3R,5R)-3-methyl-5-[(1S)-1-(phosphanylamino)ethyl]oxolan-2-one (CID 58714916) is (3R,5R)-3-methyl-5-[(1S)-1-(phosphanylamino)ethyl]oxolan-2-one.
What is the SMILES notation for (3R,5R)-3-methyl-5-[(1S)-1-(phosphanylamino)ethyl]oxolan-2-one?
The canonical SMILES for (3R,5R)-3-methyl-5-[(1S)-1-(phosphanylamino)ethyl]oxolan-2-one is C[C@@H]1C[C@H]([C@H](C)NP)OC1=O.
What is the InChIKey of (3R,5R)-3-methyl-5-[(1S)-1-(phosphanylamino)ethyl]oxolan-2-one?
The InChIKey is RVFFVRPFXZIRSM-NGJCXOISSA-N. The full InChI is InChI=1S/C7H14NO2P/c1-4-3-6(5(2)8-11)10-7(4)9/h4-6,8H,3,11H2,1-2H3/t4-,5+,6-/m1/s1.
What are the key properties of (3R,5R)-3-methyl-5-[(1S)-1-(phosphanylamino)ethyl]oxolan-2-one?
(3R,5R)-3-methyl-5-[(1S)-1-(phosphanylamino)ethyl]oxolan-2-one has a molecular weight of 175.17 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3-methyl-5-[(1S)-1-(phosphanylamino)ethyl]oxolan-2-one is sourced from PubChem (CID 58714916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).