(2R,5S)-2-ethyl-5-tritiooxolane-3-carboxamide

C7H13NO2 — CID 89172436

IUPAC(2R,5S)-2-ethyl-5-tritiooxolane-3-carboxamide
SMILES[3H][C@H]1CC(C(N)=O)[C@@H](CC)O1
InChIInChI=1S/C7H13NO2/c1-2-6-5(7(8)9)3-4-10-6/h5-6H,2-4H2,1H3,(H2,8,9)/t5?,6-/m1/s1/i4T/t4-,5?,6+/m0
InChIKeyRWJMKEKYANIHAV-RUQXKRCHSA-N
MW145.19 g/mol
LogP0.29
Rot. Bonds2

About (2R,5S)-2-ethyl-5-tritiooxolane-3-carboxamide

(2R,5S)-2-ethyl-5-tritiooxolane-3-carboxamide (PubChem CID 89172436) has the molecular formula C7H13NO2 and a molecular weight of 145.19 g/mol. Its IUPAC name is (2R,5S)-2-ethyl-5-tritiooxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,5S)-2-ethyl-5-tritiooxolane-3-carboxamide
PubChem CID89172436
Molecular FormulaC7H13NO2
Molecular Weight145.19 g/mol
Exact Mass145.10
IUPAC Name(2R,5S)-2-ethyl-5-tritiooxolane-3-carboxamide
SMILES[3H][C@H]1CC(C(N)=O)[C@@H](CC)O1
InChIInChI=1S/C7H13NO2/c1-2-6-5(7(8)9)3-4-10-6/h5-6H,2-4H2,1H3,(H2,8,9)/t5?,6-/m1/s1/i4T/t4-,5?,6+/m0
InChIKeyRWJMKEKYANIHAV-RUQXKRCHSA-N
XLogP0.29
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.19
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-ethyl-5-tritiooxolane-3-carboxamide?
The IUPAC name of (2R,5S)-2-ethyl-5-tritiooxolane-3-carboxamide (CID 89172436) is (2R,5S)-2-ethyl-5-tritiooxolane-3-carboxamide.
What is the SMILES notation for (2R,5S)-2-ethyl-5-tritiooxolane-3-carboxamide?
The canonical SMILES for (2R,5S)-2-ethyl-5-tritiooxolane-3-carboxamide is [3H][C@H]1CC(C(N)=O)[C@@H](CC)O1.
What is the InChIKey of (2R,5S)-2-ethyl-5-tritiooxolane-3-carboxamide?
The InChIKey is RWJMKEKYANIHAV-RUQXKRCHSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-6-5(7(8)9)3-4-10-6/h5-6H,2-4H2,1H3,(H2,8,9)/t5?,6-/m1/s1/i4T/t4-,5?,6+/m0.
What are the key properties of (2R,5S)-2-ethyl-5-tritiooxolane-3-carboxamide?
(2R,5S)-2-ethyl-5-tritiooxolane-3-carboxamide has a molecular weight of 145.19 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-ethyl-5-tritiooxolane-3-carboxamide is sourced from PubChem (CID 89172436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).