1-(pyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid

C10H16N2O3 — CID 10081902

IUPAC1-(pyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C2CCCN2)C1
InChIInChI=1S/C10H16N2O3/c13-9(8-2-1-4-11-8)12-5-3-7(6-12)10(14)15/h7-8,11H,1-6H2,(H,14,15)
InChIKeyIXLHVMBLSGPVNF-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.33
Rot. Bonds2

About 1-(pyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid

1-(pyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 10081902) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-(pyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(pyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID10081902
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name1-(pyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C2CCCN2)C1
InChIInChI=1S/C10H16N2O3/c13-9(8-2-1-4-11-8)12-5-3-7(6-12)10(14)15/h7-8,11H,1-6H2,(H,14,15)
InChIKeyIXLHVMBLSGPVNF-UHFFFAOYSA-N
XLogP-0.33
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 ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepane-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 64568956
(3S)-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid
CID 81125629
1-(azocane-2-carbonyl)azetidine-3-carboxylic acid
CID 114240179
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
(3-methylpyrrolidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103795857
1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide
CID 7175999
azepan-1-yl(azepan-2-yl)methanone
CID 64562203
azepan-1-yl-[(2R)-piperidin-2-yl]methanone
CID 7183049
azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119676414
azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119669545
[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 129494191
[(2R)-pyrrolidin-2-yl]-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 129320770

Frequently Asked Questions

What is the IUPAC name of 1-(pyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(pyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid (CID 10081902) is 1-(pyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(pyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(pyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)C2CCCN2)C1.
What is the InChIKey of 1-(pyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is IXLHVMBLSGPVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c13-9(8-2-1-4-11-8)12-5-3-7(6-12)10(14)15/h7-8,11H,1-6H2,(H,14,15).
What are the key properties of 1-(pyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid?
1-(pyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 212.25 g/mol, XLogP of -0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 10081902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).