(2S)-1-(2-deuterioethoxy)pyrrolidine-2-carboxamide

C7H14N2O2 — CID 141113836

IUPAC(2S)-1-(2-deuterioethoxy)pyrrolidine-2-carboxamide
SMILES[2H]CCON1CCC[C@H]1C(N)=O
InChIInChI=1S/C7H14N2O2/c1-2-11-9-5-3-4-6(9)7(8)10/h6H,2-5H2,1H3,(H2,8,10)/t6-/m0/s1/i1D
InChIKeyAHXLQYWNENRSMB-LWZZHGBJSA-N
MW159.21 g/mol
LogP-0.11
Rot. Bonds4

About (2S)-1-(2-deuterioethoxy)pyrrolidine-2-carboxamide

(2S)-1-(2-deuterioethoxy)pyrrolidine-2-carboxamide (PubChem CID 141113836) has the molecular formula C7H14N2O2 and a molecular weight of 159.21 g/mol. Its IUPAC name is (2S)-1-(2-deuterioethoxy)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(2-deuterioethoxy)pyrrolidine-2-carboxamide
PubChem CID141113836
Molecular FormulaC7H14N2O2
Molecular Weight159.21 g/mol
Exact Mass159.11
IUPAC Name(2S)-1-(2-deuterioethoxy)pyrrolidine-2-carboxamide
SMILES[2H]CCON1CCC[C@H]1C(N)=O
InChIInChI=1S/C7H14N2O2/c1-2-11-9-5-3-4-6(9)7(8)10/h6H,2-5H2,1H3,(H2,8,10)/t6-/m0/s1/i1D
InChIKeyAHXLQYWNENRSMB-LWZZHGBJSA-N
XLogP-0.11
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-deuterioethoxy)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(2-deuterioethoxy)pyrrolidine-2-carboxamide (CID 141113836) is (2S)-1-(2-deuterioethoxy)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(2-deuterioethoxy)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(2-deuterioethoxy)pyrrolidine-2-carboxamide is [2H]CCON1CCC[C@H]1C(N)=O.
What is the InChIKey of (2S)-1-(2-deuterioethoxy)pyrrolidine-2-carboxamide?
The InChIKey is AHXLQYWNENRSMB-LWZZHGBJSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-2-11-9-5-3-4-6(9)7(8)10/h6H,2-5H2,1H3,(H2,8,10)/t6-/m0/s1/i1D.
What are the key properties of (2S)-1-(2-deuterioethoxy)pyrrolidine-2-carboxamide?
(2S)-1-(2-deuterioethoxy)pyrrolidine-2-carboxamide has a molecular weight of 159.21 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-deuterioethoxy)pyrrolidine-2-carboxamide is sourced from PubChem (CID 141113836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).