(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid

C11H19N3O4 — CID 10131317

IUPAC(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
SMILESC[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C11H19N3O4/c1-6(12)9(15)13-7(2)10(16)14-5-3-4-8(14)11(17)18/h6-8H,3-5,12H2,1-2H3,(H,13,15)(H,17,18)/t6-,7-,8-/m0/s1
InChIKeyCXRCVCURMBFFOL-FXQIFTODSA-N
MW257.29 g/mol
LogP-1.09
Rot. Bonds4

About (2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid

(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 10131317) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID10131317
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
SMILESC[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C11H19N3O4/c1-6(12)9(15)13-7(2)10(16)14-5-3-4-8(14)11(17)18/h6-8H,3-5,12H2,1-2H3,(H,13,15)(H,17,18)/t6-,7-,8-/m0/s1
InChIKeyCXRCVCURMBFFOL-FXQIFTODSA-N
XLogP-1.09
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

L-Alanyl-L-Glutamine
CID 123935
Trofinetide
CID 11318905
Glycyl-L-proline
CID 3013625
Diprotin A
CID 94701
L-Alanyl-L-proline
CID 83525
Gly-L-Pro
CID 6993386
N-Acetyl-L-Citrulline
CID 656979
Leu-Pro
CID 80817
Gamma-Glutamylglutamine
CID 150914
Gln-Gln
CID 7010588
Val-Pro-Pro
CID 9818200
gamma-Glutamyl-alpha-aminobutyrate
CID 7014903

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid (CID 10131317) is (2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid is C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is CXRCVCURMBFFOL-FXQIFTODSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-6(12)9(15)13-7(2)10(16)14-5-3-4-8(14)11(17)18/h6-8H,3-5,12H2,1-2H3,(H,13,15)(H,17,18)/t6-,7-,8-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of -1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 10131317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).