1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid

C10H16N2O3 — CID 61158797

IUPAC1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)[C@@H]1CCCN1
InChIInChI=1S/C10H16N2O3/c13-9(7-3-1-5-11-7)12-6-2-4-8(12)10(14)15/h7-8,11H,1-6H2,(H,14,15)/t7-,8?/m0/s1
InChIKeyRWCOTTLHDJWHRS-JAMMHHFISA-N
MW212.25 g/mol
LogP-0.19
Rot. Bonds2

About 1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid

1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 61158797) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
PubChem CID61158797
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)[C@@H]1CCCN1
InChIInChI=1S/C10H16N2O3/c13-9(7-3-1-5-11-7)12-6-2-4-8(12)10(14)15/h7-8,11H,1-6H2,(H,14,15)/t7-,8?/m0/s1
InChIKeyRWCOTTLHDJWHRS-JAMMHHFISA-N
XLogP-0.19
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 102311837
acetic acid;(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 175939790
(2R)-1-(piperidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 78923169
1-(pyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
CID 61157904
1-[(2S)-pyrrolidine-2-carbonyl]piperidine-2-carboxylic acid
CID 61158281
(2-arsanylcarbonylpyrrolidin-1-yl)-pyrrolidin-2-ylmethanone
CID 173334366
[(2S)-2-arsanylcarbonylpyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 173334367
1,3-bis[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]imidazolidine-2-carboxylic acid
CID 11468881
(2R)-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 132526338
N,N-dimethyl-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide
CID 43579479
(2R)-1-(4-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 103869598
(2S)-N-methyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 93376645

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid (CID 61158797) is 1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)[C@@H]1CCCN1.
What is the InChIKey of 1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is RWCOTTLHDJWHRS-JAMMHHFISA-N. The full InChI is InChI=1S/C10H16N2O3/c13-9(7-3-1-5-11-7)12-6-2-4-8(12)10(14)15/h7-8,11H,1-6H2,(H,14,15)/t7-,8?/m0/s1.
What are the key properties of 1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid?
1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 212.25 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61158797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).