1-(dipyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid

C16H17N3O2 — CID 3571659

IUPAC1-(dipyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(c1ccccn1)c1ccccn1
InChIInChI=1S/C16H17N3O2/c20-16(21)14-8-5-11-19(14)15(12-6-1-3-9-17-12)13-7-2-4-10-18-13/h1-4,6-7,9-10,14-15H,5,8,11H2,(H,20,21)
InChIKeyHEQFWPFBAMBGFI-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.12
Rot. Bonds4

About 1-(dipyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid

1-(dipyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid (PubChem CID 3571659) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-(dipyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(dipyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
PubChem CID3571659
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name1-(dipyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(c1ccccn1)c1ccccn1
InChIInChI=1S/C16H17N3O2/c20-16(21)14-8-5-11-19(14)15(12-6-1-3-9-17-12)13-7-2-4-10-18-13/h1-4,6-7,9-10,14-15H,5,8,11H2,(H,20,21)
InChIKeyHEQFWPFBAMBGFI-UHFFFAOYSA-N
XLogP2.12
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[pyridin-2-yl(thiophen-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 5033531
1-[(4-phenylphenyl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid
CID 4589544
1-[(5-chlorothiophen-2-yl)-pyridin-2-ylmethyl]pyrrolidine-2-carboxylic acid
CID 3521832
1-[(3-chlorophenyl)-pyridin-2-ylmethyl]pyrrolidine-2-carboxylic acid
CID 3468242
1-[pyridin-2-yl(quinolin-3-yl)methyl]piperidine-2-carboxylic acid
CID 3968160
1-[(5-ethylthiophen-2-yl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid
CID 3979426
1-(1,2-dipyridin-2-ylethyl)piperidine-2-carboxylic acid
CID 4286493
1-[(3-phenylmethoxyphenyl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid
CID 3911315
1-[(3-methyl-2-pyridinyl)-(5-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 4599942
1-[phenyl(quinolin-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 3323580
(2S)-1-[(S)-carboxy(phenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 71614177
(2R)-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 40787079

Frequently Asked Questions

What is the IUPAC name of 1-(dipyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(dipyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid (CID 3571659) is 1-(dipyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(dipyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(dipyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(c1ccccn1)c1ccccn1.
What is the InChIKey of 1-(dipyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is HEQFWPFBAMBGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c20-16(21)14-8-5-11-19(14)15(12-6-1-3-9-17-12)13-7-2-4-10-18-13/h1-4,6-7,9-10,14-15H,5,8,11H2,(H,20,21).
What are the key properties of 1-(dipyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid?
1-(dipyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 283.33 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dipyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 3571659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).