Prolyl-glycyl-proline

C12H19N3O4 — CID 9903507

IUPAC(2S)-1-[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carboxylic acid
SMILESC1C[C@H](NC1)C(=O)NCC(=O)N2CCC[C@H]2C(=O)O
InChIInChI=1S/C12H19N3O4/c16-10(15-6-2-4-9(15)12(18)19)7-14-11(17)8-3-1-5-13-8/h8-9,13H,1-7H2,(H,14,17)(H,18,19)/t8-,9-/m0/s1
InChIKeyBRPMXFSTKXXNHF-IUCAKERBSA-N
MW269.30 g/mol
LogP-3.00
Rot. Bonds4

About Prolyl-glycyl-proline

Prolyl-glycyl-proline (PubChem CID 9903507) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is (2S)-1-[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound NameProlyl-glycyl-proline
PubChem CID9903507
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name(2S)-1-[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carboxylic acid
SMILESC1C[C@H](NC1)C(=O)NCC(=O)N2CCC[C@H]2C(=O)O
InChIInChI=1S/C12H19N3O4/c16-10(15-6-2-4-9(15)12(18)19)7-14-11(17)8-3-1-5-13-8/h8-9,13H,1-7H2,(H,14,17)(H,18,19)/t8-,9-/m0/s1
InChIKeyBRPMXFSTKXXNHF-IUCAKERBSA-N
XLogP-3.00
TPSA98.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity385

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-3.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Glycyl-L-proline
CID 3013625
Cphpc
CID 125516
Diprotin A
CID 94701
L-Alanyl-L-proline
CID 83525
Prolylhydroxyproline
CID 11902893
Alkaline Phosphatase
CID 18985873
Leu-Pro
CID 80817
L-Lysyl-L-proline
CID 171204
Arg-Pro
CID 151003
Seryl-proline
CID 4369021
Ile-Pro
CID 444876
Val-Pro-Pro
CID 9818200

Frequently Asked Questions

What is the IUPAC name of Prolyl-glycyl-proline?
The IUPAC name of Prolyl-glycyl-proline (CID 9903507) is (2S)-1-[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for Prolyl-glycyl-proline?
The canonical SMILES for Prolyl-glycyl-proline is C1C[C@H](NC1)C(=O)NCC(=O)N2CCC[C@H]2C(=O)O.
What is the InChIKey of Prolyl-glycyl-proline?
The InChIKey is BRPMXFSTKXXNHF-IUCAKERBSA-N. The full InChI is InChI=1S/C12H19N3O4/c16-10(15-6-2-4-9(15)12(18)19)7-14-11(17)8-3-1-5-13-8/h8-9,13H,1-7H2,(H,14,17)(H,18,19)/t8-,9-/m0/s1.
What are the key properties of Prolyl-glycyl-proline?
Prolyl-glycyl-proline has a molecular weight of 269.30 g/mol, XLogP of -3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Prolyl-glycyl-proline is sourced from PubChem (CID 9903507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).