3-amino-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid

C14H21N3O3 — CID 107324759

IUPAC3-amino-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
SMILESCOc1c(C)cnc(CN2CCC(N)(C(=O)O)C2)c1C
InChIInChI=1S/C14H21N3O3/c1-9-6-16-11(10(2)12(9)20-3)7-17-5-4-14(15,8-17)13(18)19/h6H,4-5,7-8,15H2,1-3H3,(H,18,19)
InChIKeyWZROHGZXKCDOMG-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.69
Rot. Bonds4

About 3-amino-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid

3-amino-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid (PubChem CID 107324759) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-amino-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
PubChem CID107324759
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-amino-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
SMILESCOc1c(C)cnc(CN2CCC(N)(C(=O)O)C2)c1C
InChIInChI=1S/C14H21N3O3/c1-9-6-16-11(10(2)12(9)20-3)7-17-5-4-14(15,8-17)13(18)19/h6H,4-5,7-8,15H2,1-3H3,(H,18,19)
InChIKeyWZROHGZXKCDOMG-UHFFFAOYSA-N
XLogP0.69
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid (CID 107324759) is 3-amino-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid is COc1c(C)cnc(CN2CCC(N)(C(=O)O)C2)c1C.
What is the InChIKey of 3-amino-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is WZROHGZXKCDOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9-6-16-11(10(2)12(9)20-3)7-17-5-4-14(15,8-17)13(18)19/h6H,4-5,7-8,15H2,1-3H3,(H,18,19).
What are the key properties of 3-amino-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid?
3-amino-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107324759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).