3-amino-1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine-3-carboxylic acid

C16H22N2O3 — CID 107320785

IUPAC3-amino-1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine-3-carboxylic acid
SMILESCOc1ccc2c(c1)CC(N1CCC(N)(C(=O)O)C1)CC2
InChIInChI=1S/C16H22N2O3/c1-21-14-5-3-11-2-4-13(8-12(11)9-14)18-7-6-16(17,10-18)15(19)20/h3,5,9,13H,2,4,6-8,10,17H2,1H3,(H,19,20)
InChIKeyJOJGQTJUCVODGU-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.04
Rot. Bonds3

About 3-amino-1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine-3-carboxylic acid

3-amino-1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine-3-carboxylic acid (PubChem CID 107320785) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-amino-1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine-3-carboxylic acid
PubChem CID107320785
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-amino-1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine-3-carboxylic acid
SMILESCOc1ccc2c(c1)CC(N1CCC(N)(C(=O)O)C1)CC2
InChIInChI=1S/C16H22N2O3/c1-21-14-5-3-11-2-4-13(8-12(11)9-14)18-7-6-16(17,10-18)15(19)20/h3,5,9,13H,2,4,6-8,10,17H2,1H3,(H,19,20)
InChIKeyJOJGQTJUCVODGU-UHFFFAOYSA-N
XLogP1.04
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine-3-carboxylic acid (CID 107320785) is 3-amino-1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine-3-carboxylic acid is COc1ccc2c(c1)CC(N1CCC(N)(C(=O)O)C1)CC2.
What is the InChIKey of 3-amino-1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is JOJGQTJUCVODGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-21-14-5-3-11-2-4-13(8-12(11)9-14)18-7-6-16(17,10-18)15(19)20/h3,5,9,13H,2,4,6-8,10,17H2,1H3,(H,19,20).
What are the key properties of 3-amino-1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine-3-carboxylic acid?
3-amino-1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107320785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).