(2R)-1-[6-[ethyl(propyl)amino]pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid

C16H23N3O3 — CID 119372018

IUPAC(2R)-1-[6-[ethyl(propyl)amino]pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCCCN(CC)c1ccc(C(=O)N2CCC[C@@H]2C(=O)O)cn1
InChIInChI=1S/C16H23N3O3/c1-3-9-18(4-2)14-8-7-12(11-17-14)15(20)19-10-5-6-13(19)16(21)22/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,21,22)/t13-/m1/s1
InChIKeyBYTAJQGIFSBTRI-CYBMUJFWSA-N
MW305.38 g/mol
LogP2.01
Rot. Bonds6

About (2R)-1-[6-[ethyl(propyl)amino]pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid

(2R)-1-[6-[ethyl(propyl)amino]pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 119372018) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is (2R)-1-[6-[ethyl(propyl)amino]pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[6-[ethyl(propyl)amino]pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid
PubChem CID119372018
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name(2R)-1-[6-[ethyl(propyl)amino]pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCCCN(CC)c1ccc(C(=O)N2CCC[C@@H]2C(=O)O)cn1
InChIInChI=1S/C16H23N3O3/c1-3-9-18(4-2)14-8-7-12(11-17-14)15(20)19-10-5-6-13(19)16(21)22/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,21,22)/t13-/m1/s1
InChIKeyBYTAJQGIFSBTRI-CYBMUJFWSA-N
XLogP2.01
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[6-[ethyl(propyl)amino]pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[6-[ethyl(propyl)amino]pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid (CID 119372018) is (2R)-1-[6-[ethyl(propyl)amino]pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[6-[ethyl(propyl)amino]pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[6-[ethyl(propyl)amino]pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid is CCCN(CC)c1ccc(C(=O)N2CCC[C@@H]2C(=O)O)cn1.
What is the InChIKey of (2R)-1-[6-[ethyl(propyl)amino]pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is BYTAJQGIFSBTRI-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-3-9-18(4-2)14-8-7-12(11-17-14)15(20)19-10-5-6-13(19)16(21)22/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,21,22)/t13-/m1/s1.
What are the key properties of (2R)-1-[6-[ethyl(propyl)amino]pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[6-[ethyl(propyl)amino]pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 305.38 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[6-[ethyl(propyl)amino]pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119372018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).