(2S)-1-(2-deuterioethyl)pyrrolidine-2-carboxylic acid

C7H13NO2 — CID 142681934

IUPAC(2S)-1-(2-deuterioethyl)pyrrolidine-2-carboxylic acid
SMILES[2H]CCN1CCC[C@H]1C(=O)O
InChIInChI=1S/C7H13NO2/c1-2-8-5-3-4-6(8)7(9)10/h6H,2-5H2,1H3,(H,9,10)/t6-/m0/s1/i1D
InChIKeyYNXFKYXSWNIWGO-LWZZHGBJSA-N
MW144.19 g/mol
LogP0.56
Rot. Bonds3

About (2S)-1-(2-deuterioethyl)pyrrolidine-2-carboxylic acid

(2S)-1-(2-deuterioethyl)pyrrolidine-2-carboxylic acid (PubChem CID 142681934) has the molecular formula C7H13NO2 and a molecular weight of 144.19 g/mol. Its IUPAC name is (2S)-1-(2-deuterioethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2-deuterioethyl)pyrrolidine-2-carboxylic acid
PubChem CID142681934
Molecular FormulaC7H13NO2
Molecular Weight144.19 g/mol
Exact Mass144.10
IUPAC Name(2S)-1-(2-deuterioethyl)pyrrolidine-2-carboxylic acid
SMILES[2H]CCN1CCC[C@H]1C(=O)O
InChIInChI=1S/C7H13NO2/c1-2-8-5-3-4-6(8)7(9)10/h6H,2-5H2,1H3,(H,9,10)/t6-/m0/s1/i1D
InChIKeyYNXFKYXSWNIWGO-LWZZHGBJSA-N
XLogP0.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-deuterioethyl)piperidine-2-carboxylic acid
CID 139894502
1-ethylpyrrolidine-2-carboxylic acid
CID 19371949
CID 66737893
CID 66737893
1-(2-oxobutyl)pyrrolidine-2-carboxylic acid
CID 82406232
(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]pentyl]pyrrolidine-2-carboxylic acid
CID 138991676
(2S)-1-propylpyrrolidine-2-carboxylic acid;hydrochloride
CID 67785488
(2S)-1-[(2S)-1-ethylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 174164435
(2R)-1-(cyclopropylmethyl)pyrrolidine-2-carboxylic acid
CID 51440975
(2S)-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid;sulfane
CID 160932725
(2S)-1-(2-sulfanylethyl)pyrrolidine-2-carboxylic acid
CID 45116092
(2S)-1-(2-amino-2-oxoethyl)pyrrolidine-2-carboxylic acid
CID 57122490
1-(2-aminoethyl)pyrrolidine-2-carboxylic acid
CID 63653380

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-deuterioethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2-deuterioethyl)pyrrolidine-2-carboxylic acid (CID 142681934) is (2S)-1-(2-deuterioethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2-deuterioethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2-deuterioethyl)pyrrolidine-2-carboxylic acid is [2H]CCN1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-(2-deuterioethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is YNXFKYXSWNIWGO-LWZZHGBJSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-8-5-3-4-6(8)7(9)10/h6H,2-5H2,1H3,(H,9,10)/t6-/m0/s1/i1D.
What are the key properties of (2S)-1-(2-deuterioethyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(2-deuterioethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 144.19 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-deuterioethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 142681934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).