1-(4,5-diamino-6-ethyl-2-pyridinyl)pyrrolidine-2-carboxylic acid

C12H18N4O2 — CID 67401785

IUPAC1-(4,5-diamino-6-ethyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
SMILESCCc1nc(N2CCCC2C(=O)O)cc(N)c1N
InChIInChI=1S/C12H18N4O2/c1-2-8-11(14)7(13)6-10(15-8)16-5-3-4-9(16)12(17)18/h6,9H,2-5,14H2,1H3,(H2,13,15)(H,17,18)
InChIKeyUEUZBYKYONILNH-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.86
Rot. Bonds3

About 1-(4,5-diamino-6-ethyl-2-pyridinyl)pyrrolidine-2-carboxylic acid

1-(4,5-diamino-6-ethyl-2-pyridinyl)pyrrolidine-2-carboxylic acid (PubChem CID 67401785) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-(4,5-diamino-6-ethyl-2-pyridinyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4,5-diamino-6-ethyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
PubChem CID67401785
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1-(4,5-diamino-6-ethyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
SMILESCCc1nc(N2CCCC2C(=O)O)cc(N)c1N
InChIInChI=1S/C12H18N4O2/c1-2-8-11(14)7(13)6-10(15-8)16-5-3-4-9(16)12(17)18/h6,9H,2-5,14H2,1H3,(H2,13,15)(H,17,18)
InChIKeyUEUZBYKYONILNH-UHFFFAOYSA-N
XLogP0.86
TPSA105.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-diamino-6-ethyl-2-pyridinyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(4,5-diamino-6-ethyl-2-pyridinyl)pyrrolidine-2-carboxylic acid (CID 67401785) is 1-(4,5-diamino-6-ethyl-2-pyridinyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(4,5-diamino-6-ethyl-2-pyridinyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(4,5-diamino-6-ethyl-2-pyridinyl)pyrrolidine-2-carboxylic acid is CCc1nc(N2CCCC2C(=O)O)cc(N)c1N.
What is the InChIKey of 1-(4,5-diamino-6-ethyl-2-pyridinyl)pyrrolidine-2-carboxylic acid?
The InChIKey is UEUZBYKYONILNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-2-8-11(14)7(13)6-10(15-8)16-5-3-4-9(16)12(17)18/h6,9H,2-5,14H2,1H3,(H2,13,15)(H,17,18).
What are the key properties of 1-(4,5-diamino-6-ethyl-2-pyridinyl)pyrrolidine-2-carboxylic acid?
1-(4,5-diamino-6-ethyl-2-pyridinyl)pyrrolidine-2-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-diamino-6-ethyl-2-pyridinyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 67401785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).