(5S)-5-[(1S)-1-(phosphanylamino)ethyl]oxolan-2-one

C6H12NO2P — CID 154534304

IUPAC(5S)-5-[(1S)-1-(phosphanylamino)ethyl]oxolan-2-one
SMILESC[C@H](NP)[C@@H]1CCC(=O)O1
InChIInChI=1S/C6H12NO2P/c1-4(7-10)5-2-3-6(8)9-5/h4-5,7H,2-3,10H2,1H3/t4-,5-/m0/s1
InChIKeyUKZGBLWGLGQVQD-WHFBIAKZSA-N
MW161.14 g/mol
LogP0.46
Rot. Bonds2

About (5S)-5-[(1S)-1-(phosphanylamino)ethyl]oxolan-2-one

(5S)-5-[(1S)-1-(phosphanylamino)ethyl]oxolan-2-one (PubChem CID 154534304) has the molecular formula C6H12NO2P and a molecular weight of 161.14 g/mol. Its IUPAC name is (5S)-5-[(1S)-1-(phosphanylamino)ethyl]oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-[(1S)-1-(phosphanylamino)ethyl]oxolan-2-one
PubChem CID154534304
Molecular FormulaC6H12NO2P
Molecular Weight161.14 g/mol
Exact Mass161.06
IUPAC Name(5S)-5-[(1S)-1-(phosphanylamino)ethyl]oxolan-2-one
SMILESC[C@H](NP)[C@@H]1CCC(=O)O1
InChIInChI=1S/C6H12NO2P/c1-4(7-10)5-2-3-6(8)9-5/h4-5,7H,2-3,10H2,1H3/t4-,5-/m0/s1
InChIKeyUKZGBLWGLGQVQD-WHFBIAKZSA-N
XLogP0.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.14
LogP ≤ 50.46
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

(5R)-5-[(1R)-1-amino-2,2,2-trifluoroethyl]oxolan-2-one
CID 130982547
5-(1-Amino-2,2-difluoroethyl)oxolan-2-one
CID 129996197
(5S)-5-[(1S)-1-amino-2,2-difluoroethyl]oxolan-2-one
CID 131214130
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
(3R,5R)-3-methyl-5-[(1S)-1-(phosphanylamino)ethyl]oxolan-2-one
CID 58714916
(3R)-5-[1-(diphosphanylamino)ethyl]-3-methyloxolan-2-one
CID 59977169
(3R,5R)-3-amino-5-ethyloxolan-2-one
CID 68804015
(5R)-5-[(1S)-1-(phosphanylamino)ethyl]oxolan-2-one
CID 141916482
5-(1-Aminopropyl)oxolan-2-one
CID 142841155
(5R)-5-[(phosphanylamino)methyl]oxolan-2-one
CID 142890345

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(1S)-1-(phosphanylamino)ethyl]oxolan-2-one?
The IUPAC name of (5S)-5-[(1S)-1-(phosphanylamino)ethyl]oxolan-2-one (CID 154534304) is (5S)-5-[(1S)-1-(phosphanylamino)ethyl]oxolan-2-one.
What is the SMILES notation for (5S)-5-[(1S)-1-(phosphanylamino)ethyl]oxolan-2-one?
The canonical SMILES for (5S)-5-[(1S)-1-(phosphanylamino)ethyl]oxolan-2-one is C[C@H](NP)[C@@H]1CCC(=O)O1.
What is the InChIKey of (5S)-5-[(1S)-1-(phosphanylamino)ethyl]oxolan-2-one?
The InChIKey is UKZGBLWGLGQVQD-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H12NO2P/c1-4(7-10)5-2-3-6(8)9-5/h4-5,7H,2-3,10H2,1H3/t4-,5-/m0/s1.
What are the key properties of (5S)-5-[(1S)-1-(phosphanylamino)ethyl]oxolan-2-one?
(5S)-5-[(1S)-1-(phosphanylamino)ethyl]oxolan-2-one has a molecular weight of 161.14 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(1S)-1-(phosphanylamino)ethyl]oxolan-2-one is sourced from PubChem (CID 154534304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).