3-amino-1-(3-ethyl-1-methylpyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid

C12H18N4O3 — CID 107323437

IUPAC3-amino-1-(3-ethyl-1-methylpyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCCc1cc(C(=O)N2CCC(N)(C(=O)O)C2)n(C)n1
InChIInChI=1S/C12H18N4O3/c1-3-8-6-9(15(2)14-8)10(17)16-5-4-12(13,7-16)11(18)19/h6H,3-5,7,13H2,1-2H3,(H,18,19)
InChIKeyLNEBPZZTSUKFSW-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.39
Rot. Bonds3

About 3-amino-1-(3-ethyl-1-methylpyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid

3-amino-1-(3-ethyl-1-methylpyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 107323437) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-amino-1-(3-ethyl-1-methylpyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(3-ethyl-1-methylpyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID107323437
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name3-amino-1-(3-ethyl-1-methylpyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCCc1cc(C(=O)N2CCC(N)(C(=O)O)C2)n(C)n1
InChIInChI=1S/C12H18N4O3/c1-3-8-6-9(15(2)14-8)10(17)16-5-4-12(13,7-16)11(18)19/h6H,3-5,7,13H2,1-2H3,(H,18,19)
InChIKeyLNEBPZZTSUKFSW-UHFFFAOYSA-N
XLogP-0.39
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-ethyl-1-methylpyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(3-ethyl-1-methylpyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid (CID 107323437) is 3-amino-1-(3-ethyl-1-methylpyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(3-ethyl-1-methylpyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(3-ethyl-1-methylpyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid is CCc1cc(C(=O)N2CCC(N)(C(=O)O)C2)n(C)n1.
What is the InChIKey of 3-amino-1-(3-ethyl-1-methylpyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is LNEBPZZTSUKFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-3-8-6-9(15(2)14-8)10(17)16-5-4-12(13,7-16)11(18)19/h6H,3-5,7,13H2,1-2H3,(H,18,19).
What are the key properties of 3-amino-1-(3-ethyl-1-methylpyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid?
3-amino-1-(3-ethyl-1-methylpyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of -0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-ethyl-1-methylpyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107323437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).