(2S)-2-hydroxy-1-pyrrolidin-1-yl-3-(2-tritioethoxy)propan-1-one

C9H17NO3 — CID 59066924

IUPAC(2S)-2-hydroxy-1-pyrrolidin-1-yl-3-(2-tritioethoxy)propan-1-one
SMILES[3H]CCOC[C@H](O)C(=O)N1CCCC1
InChIInChI=1S/C9H17NO3/c1-2-13-7-8(11)9(12)10-5-3-4-6-10/h8,11H,2-7H2,1H3/t8-/m0/s1/i1T
InChIKeyFUWQLELHTPSSPQ-MVHVPTFXSA-N
MW189.25 g/mol
LogP0.01
Rot. Bonds5

About (2S)-2-hydroxy-1-pyrrolidin-1-yl-3-(2-tritioethoxy)propan-1-one

(2S)-2-hydroxy-1-pyrrolidin-1-yl-3-(2-tritioethoxy)propan-1-one (PubChem CID 59066924) has the molecular formula C9H17NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is (2S)-2-hydroxy-1-pyrrolidin-1-yl-3-(2-tritioethoxy)propan-1-one.

Molecular Properties

Compound Name(2S)-2-hydroxy-1-pyrrolidin-1-yl-3-(2-tritioethoxy)propan-1-one
PubChem CID59066924
Molecular FormulaC9H17NO3
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name(2S)-2-hydroxy-1-pyrrolidin-1-yl-3-(2-tritioethoxy)propan-1-one
SMILES[3H]CCOC[C@H](O)C(=O)N1CCCC1
InChIInChI=1S/C9H17NO3/c1-2-13-7-8(11)9(12)10-5-3-4-6-10/h8,11H,2-7H2,1H3/t8-/m0/s1/i1T
InChIKeyFUWQLELHTPSSPQ-MVHVPTFXSA-N
XLogP0.01
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-hydroxy-1-pyrrolidin-1-yl-3-(2-tritioethoxy)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dihydroxy-1-pyrrolidin-1-ylpropan-1-one
CID 130148123
(2S)-2-hydroxy-4-methyl-1-pyrrolidin-1-ylpentan-1-one
CID 71425574
4-O-[(2S)-2-hydroxy-3-oxo-3-piperidin-1-ylpropyl] 1-O-methyl (E)-but-2-enedioate
CID 122664242
1-O-(2-hydroxy-3-oxo-3-piperidin-1-ylpropyl) 4-O-propan-2-yl (E)-but-2-enedioate
CID 122664258
(2R)-2-hydroxy-1-piperidin-1-ylpropan-1-one
CID 91806212
(2R)-1-(azocan-1-yl)-2-hydroxypropan-1-one
CID 130736139
ethyl 2-methyl-3-oxo-3-pyrrolidin-1-ylpropanoate
CID 135193493
(2S)-3-cyclohexyl-2-hydroxy-1-piperidin-1-ylpropan-1-one
CID 59948409
1-(azocan-1-yl)-2-methylpropan-1-one
CID 17164385
(2S,3R)-3-hydroxy-2-methyl-1-pyrrolidin-1-ylpentan-1-one
CID 10845219
diethyl 2-(1-hydroxy-2-oxo-2-pyrrolidin-1-ylethyl)-3-methylbutanedioate
CID 134917578
1-O-ethyl 4-O-(2-hydroxy-3-morpholin-4-yl-3-oxopropyl) (E)-but-2-enedioate
CID 122667400

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-1-pyrrolidin-1-yl-3-(2-tritioethoxy)propan-1-one?
The IUPAC name of (2S)-2-hydroxy-1-pyrrolidin-1-yl-3-(2-tritioethoxy)propan-1-one (CID 59066924) is (2S)-2-hydroxy-1-pyrrolidin-1-yl-3-(2-tritioethoxy)propan-1-one.
What is the SMILES notation for (2S)-2-hydroxy-1-pyrrolidin-1-yl-3-(2-tritioethoxy)propan-1-one?
The canonical SMILES for (2S)-2-hydroxy-1-pyrrolidin-1-yl-3-(2-tritioethoxy)propan-1-one is [3H]CCOC[C@H](O)C(=O)N1CCCC1.
What is the InChIKey of (2S)-2-hydroxy-1-pyrrolidin-1-yl-3-(2-tritioethoxy)propan-1-one?
The InChIKey is FUWQLELHTPSSPQ-MVHVPTFXSA-N. The full InChI is InChI=1S/C9H17NO3/c1-2-13-7-8(11)9(12)10-5-3-4-6-10/h8,11H,2-7H2,1H3/t8-/m0/s1/i1T.
What are the key properties of (2S)-2-hydroxy-1-pyrrolidin-1-yl-3-(2-tritioethoxy)propan-1-one?
(2S)-2-hydroxy-1-pyrrolidin-1-yl-3-(2-tritioethoxy)propan-1-one has a molecular weight of 189.25 g/mol, XLogP of 0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-1-pyrrolidin-1-yl-3-(2-tritioethoxy)propan-1-one is sourced from PubChem (CID 59066924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).