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

C10H16N2O4 — CID 15160467

IUPAC(2S)-1-[(2S)-2-acetamidopropanoyl]pyrrolidine-2-carboxylic acid
SMILESCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C10H16N2O4/c1-6(11-7(2)13)9(14)12-5-3-4-8(12)10(15)16/h6,8H,3-5H2,1-2H3,(H,11,13)(H,15,16)/t6-,8-/m0/s1
InChIKeyOCJNSAUYDHPMES-XPUUQOCRSA-N
MW228.25 g/mol
LogP-0.41
Rot. Bonds3

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

(2S)-1-[(2S)-2-acetamidopropanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 15160467) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-acetamidopropanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-acetamidopropanoyl]pyrrolidine-2-carboxylic acid
PubChem CID15160467
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name(2S)-1-[(2S)-2-acetamidopropanoyl]pyrrolidine-2-carboxylic acid
SMILESCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C10H16N2O4/c1-6(11-7(2)13)9(14)12-5-3-4-8(12)10(15)16/h6,8H,3-5H2,1-2H3,(H,11,13)(H,15,16)/t6-,8-/m0/s1
InChIKeyOCJNSAUYDHPMES-XPUUQOCRSA-N
XLogP-0.41
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 123935
Trofinetide
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Glycyl-L-proline
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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-acetamidopropanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(2S)-2-acetamidopropanoyl]pyrrolidine-2-carboxylic acid (CID 15160467) is (2S)-1-[(2S)-2-acetamidopropanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(2S)-2-acetamidopropanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(2S)-2-acetamidopropanoyl]pyrrolidine-2-carboxylic acid is CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[(2S)-2-acetamidopropanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is OCJNSAUYDHPMES-XPUUQOCRSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-6(11-7(2)13)9(14)12-5-3-4-8(12)10(15)16/h6,8H,3-5H2,1-2H3,(H,11,13)(H,15,16)/t6-,8-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-acetamidopropanoyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[(2S)-2-acetamidopropanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 228.25 g/mol, XLogP of -0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-acetamidopropanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 15160467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).