(2S)-1,2-dideuteriopyrrolidine-2-carboxylic acid

C5H9NO2 — CID 54159346

IUPAC(2S)-1,2-dideuteriopyrrolidine-2-carboxylic acid
SMILES[2H]N1CCC[C@@]1([2H])C(=O)O
InChIInChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1/i4D/hD
InChIKeyONIBWKKTOPOVIA-ODWARLGGSA-N
MW117.14 g/mol
LogP-0.18
Rot. Bonds1

About (2S)-1,2-dideuteriopyrrolidine-2-carboxylic acid

(2S)-1,2-dideuteriopyrrolidine-2-carboxylic acid (PubChem CID 54159346) has the molecular formula C5H9NO2 and a molecular weight of 117.14 g/mol. Its IUPAC name is (2S)-1,2-dideuteriopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1,2-dideuteriopyrrolidine-2-carboxylic acid
PubChem CID54159346
Molecular FormulaC5H9NO2
Molecular Weight117.14 g/mol
Exact Mass117.08
IUPAC Name(2S)-1,2-dideuteriopyrrolidine-2-carboxylic acid
SMILES[2H]N1CCC[C@@]1([2H])C(=O)O
InChIInChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1/i4D/hD
InChIKeyONIBWKKTOPOVIA-ODWARLGGSA-N
XLogP-0.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.14
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S)-1-deuteriopyrrolidin-2-yl]ethanone
CID 153463603
3-propan-2-ylpiperidine-2-carboxylic acid
CID 130003072
pyrrolidine-2-carboxylic acid
CID 614
hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
CID 158114560
(213C)azolidine-2-carboxylic acid
CID 10290769
argon;(2S)-pyrrolidine-2-carboxylic acid
CID 160825816
(2R)-pyrrolidine-2-carboxylic acid;zinc
CID 175434284
bis((2S)-pyrrolidine-2-carboxylic acid);hydrate
CID 67110713
pyrrolidine-2-carboxylic acid;yttrium
CID 21344974
potassium (2R)-pyrrolidine-2-carboxylic acid
CID 177481174
pyrrolidine-2-carboxylic acid;silver
CID 87701112
carbonic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 70552648

Frequently Asked Questions

What is the IUPAC name of (2S)-1,2-dideuteriopyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1,2-dideuteriopyrrolidine-2-carboxylic acid (CID 54159346) is (2S)-1,2-dideuteriopyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1,2-dideuteriopyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1,2-dideuteriopyrrolidine-2-carboxylic acid is [2H]N1CCC[C@@]1([2H])C(=O)O.
What is the InChIKey of (2S)-1,2-dideuteriopyrrolidine-2-carboxylic acid?
The InChIKey is ONIBWKKTOPOVIA-ODWARLGGSA-N. The full InChI is InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1/i4D/hD.
What are the key properties of (2S)-1,2-dideuteriopyrrolidine-2-carboxylic acid?
(2S)-1,2-dideuteriopyrrolidine-2-carboxylic acid has a molecular weight of 117.14 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,2-dideuteriopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 54159346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).