1-(2-acetamidoacetyl)pyrrolidine-2-carboxylic acid

C9H14N2O4 — CID 24709801

IUPAC1-(2-acetamidoacetyl)pyrrolidine-2-carboxylic acid
SMILESCC(=O)NCC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C9H14N2O4/c1-6(12)10-5-8(13)11-4-2-3-7(11)9(14)15/h7H,2-5H2,1H3,(H,10,12)(H,14,15)
InChIKeyZHTPYHWQBGPPKX-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.80
Rot. Bonds3

About 1-(2-acetamidoacetyl)pyrrolidine-2-carboxylic acid

1-(2-acetamidoacetyl)pyrrolidine-2-carboxylic acid (PubChem CID 24709801) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is 1-(2-acetamidoacetyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-acetamidoacetyl)pyrrolidine-2-carboxylic acid
PubChem CID24709801
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name1-(2-acetamidoacetyl)pyrrolidine-2-carboxylic acid
SMILESCC(=O)NCC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C9H14N2O4/c1-6(12)10-5-8(13)11-4-2-3-7(11)9(14)15/h7H,2-5H2,1H3,(H,10,12)(H,14,15)
InChIKeyZHTPYHWQBGPPKX-UHFFFAOYSA-N
XLogP-0.80
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 123935
Glycyl-L-proline
CID 3013625
N-Acetyl-L-ornithine
CID 439232
Glycyl-L-glutamine
CID 123913
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
L-Prolylglycine
CID 6426709
Val-Pro-Pro
CID 9818200
gamma-Glutamyl-alpha-aminobutyrate
CID 7014903

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetamidoacetyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-acetamidoacetyl)pyrrolidine-2-carboxylic acid (CID 24709801) is 1-(2-acetamidoacetyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-acetamidoacetyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-acetamidoacetyl)pyrrolidine-2-carboxylic acid is CC(=O)NCC(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-(2-acetamidoacetyl)pyrrolidine-2-carboxylic acid?
The InChIKey is ZHTPYHWQBGPPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-6(12)10-5-8(13)11-4-2-3-7(11)9(14)15/h7H,2-5H2,1H3,(H,10,12)(H,14,15).
What are the key properties of 1-(2-acetamidoacetyl)pyrrolidine-2-carboxylic acid?
1-(2-acetamidoacetyl)pyrrolidine-2-carboxylic acid has a molecular weight of 214.22 g/mol, XLogP of -0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetamidoacetyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 24709801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).