1-[5-amino-6-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2-carboxylic acid

C14H20N4O3 — CID 22598679

IUPAC1-[5-amino-6-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
SMILESNc1ccc(N2CCCC2C(=O)O)nc1N1CCC(O)C1
InChIInChI=1S/C14H20N4O3/c15-10-3-4-12(18-6-1-2-11(18)14(20)21)16-13(10)17-7-5-9(19)8-17/h3-4,9,11,19H,1-2,5-8,15H2,(H,20,21)
InChIKeySRBFETXSLVSRQN-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.29
Rot. Bonds3

About 1-[5-amino-6-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2-carboxylic acid

1-[5-amino-6-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2-carboxylic acid (PubChem CID 22598679) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-[5-amino-6-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[5-amino-6-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
PubChem CID22598679
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name1-[5-amino-6-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
SMILESNc1ccc(N2CCCC2C(=O)O)nc1N1CCC(O)C1
InChIInChI=1S/C14H20N4O3/c15-10-3-4-12(18-6-1-2-11(18)14(20)21)16-13(10)17-7-5-9(19)8-17/h3-4,9,11,19H,1-2,5-8,15H2,(H,20,21)
InChIKeySRBFETXSLVSRQN-UHFFFAOYSA-N
XLogP0.29
TPSA102.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-6-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[5-amino-6-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2-carboxylic acid (CID 22598679) is 1-[5-amino-6-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[5-amino-6-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[5-amino-6-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2-carboxylic acid is Nc1ccc(N2CCCC2C(=O)O)nc1N1CCC(O)C1.
What is the InChIKey of 1-[5-amino-6-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2-carboxylic acid?
The InChIKey is SRBFETXSLVSRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c15-10-3-4-12(18-6-1-2-11(18)14(20)21)16-13(10)17-7-5-9(19)8-17/h3-4,9,11,19H,1-2,5-8,15H2,(H,20,21).
What are the key properties of 1-[5-amino-6-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2-carboxylic acid?
1-[5-amino-6-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of 0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-6-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 22598679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).