Prolyl-proline

C10H16N2O3 — CID 11622593

IUPAC(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
SMILESC1C[C@H](NC1)C(=O)N2CCC[C@H]2C(=O)O
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-YUMQZZPRSA-N
MW212.25 g/mol
LogP-2.30
Rot. Bonds2

About Prolyl-proline

Prolyl-proline (PubChem CID 11622593) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is (2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound NameProlyl-proline
PubChem CID11622593
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
SMILESC1C[C@H](NC1)C(=O)N2CCC[C@H]2C(=O)O
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-YUMQZZPRSA-N
XLogP-2.30
TPSA69.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity280

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-2.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Glycyl-L-proline
CID 3013625
L-Alanyl-L-proline
CID 83525
Prolylhydroxyproline
CID 11902893
Gly-L-Pro
CID 6993386
Leu-Pro
CID 80817
L-Lysyl-L-proline
CID 171204
Arg-Pro
CID 151003
Ile-Pro
CID 444876
Val-Pro-Pro
CID 9818200
Glu-Pro
CID 11218768
Pro-Hyp zwitterion
CID 11902892
5-oxo-L-prolyl-L-glutamine
CID 11010621

Frequently Asked Questions

What is the IUPAC name of Prolyl-proline?
The IUPAC name of Prolyl-proline (CID 11622593) is (2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for Prolyl-proline?
The canonical SMILES for Prolyl-proline is C1C[C@H](NC1)C(=O)N2CCC[C@H]2C(=O)O.
What is the InChIKey of Prolyl-proline?
The InChIKey is RWCOTTLHDJWHRS-YUMQZZPRSA-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 Prolyl-proline?
Prolyl-proline has a molecular weight of 212.25 g/mol, XLogP of -2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Prolyl-proline is sourced from PubChem (CID 11622593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).