(2S)-1-deuteriooxypyrrolidine-2-carboxamide

C5H10N2O2 — CID 140857244

IUPAC(2S)-1-deuteriooxypyrrolidine-2-carboxamide
SMILES[2H]ON1CCC[C@H]1C(N)=O
InChIInChI=1S/C5H10N2O2/c6-5(8)4-2-1-3-7(4)9/h4,9H,1-3H2,(H2,6,8)/t4-/m0/s1/i9D
InChIKeyBFZPYNZHHWFLFR-NRBZWRMBSA-N
MW131.15 g/mol
LogP-0.67
Rot. Bonds2

About (2S)-1-deuteriooxypyrrolidine-2-carboxamide

(2S)-1-deuteriooxypyrrolidine-2-carboxamide (PubChem CID 140857244) has the molecular formula C5H10N2O2 and a molecular weight of 131.15 g/mol. Its IUPAC name is (2S)-1-deuteriooxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-deuteriooxypyrrolidine-2-carboxamide
PubChem CID140857244
Molecular FormulaC5H10N2O2
Molecular Weight131.15 g/mol
Exact Mass131.08
IUPAC Name(2S)-1-deuteriooxypyrrolidine-2-carboxamide
SMILES[2H]ON1CCC[C@H]1C(N)=O
InChIInChI=1S/C5H10N2O2/c6-5(8)4-2-1-3-7(4)9/h4,9H,1-3H2,(H2,6,8)/t4-/m0/s1/i9D
InChIKeyBFZPYNZHHWFLFR-NRBZWRMBSA-N
XLogP-0.67
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-iodopyrrolidine-2-carboxamide
CID 90471398
(2S)-1-methylpyrrolidine-2-carboxamide
CID 14245857
1-(oxomethyl)pyrrolidine-2-carboxamide
CID 154541895
1-methylpyrrolidine-2-carboxamide;hydrochloride
CID 66716063
1-nitrosopyrrolidine-2-carboxamide
CID 55290027
(2R)-1-formylpyrrolidine-2-carboxamide
CID 144804081
1-(1,1,2,2,2-pentadeuterioethyl)pyrrolidine-2-carboxamide
CID 59293963
(2S)-1-[(E)-4-[(2S)-2-carbamoylpyrrolidin-1-yl]-4-oxobut-2-enoyl]pyrrolidine-2-carboxamide
CID 70321115
(2S)-1-ethenylpyrrolidine-2-carboxamide
CID 142882543
1-piperidin-1-ylpyrrolidine-2-carboxamide
CID 70164844
(2S)-1-iodopiperidine-2-carboxamide
CID 154003714
(2R)-1-(2-aminoethyl)pyrrolidine-2-carboxamide
CID 28822969

Frequently Asked Questions

What is the IUPAC name of (2S)-1-deuteriooxypyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-deuteriooxypyrrolidine-2-carboxamide (CID 140857244) is (2S)-1-deuteriooxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-deuteriooxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-deuteriooxypyrrolidine-2-carboxamide is [2H]ON1CCC[C@H]1C(N)=O.
What is the InChIKey of (2S)-1-deuteriooxypyrrolidine-2-carboxamide?
The InChIKey is BFZPYNZHHWFLFR-NRBZWRMBSA-N. The full InChI is InChI=1S/C5H10N2O2/c6-5(8)4-2-1-3-7(4)9/h4,9H,1-3H2,(H2,6,8)/t4-/m0/s1/i9D.
What are the key properties of (2S)-1-deuteriooxypyrrolidine-2-carboxamide?
(2S)-1-deuteriooxypyrrolidine-2-carboxamide has a molecular weight of 131.15 g/mol, XLogP of -0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-deuteriooxypyrrolidine-2-carboxamide is sourced from PubChem (CID 140857244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).