3-amino-1-(5-methoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid

C10H14N4O3 — CID 107325277

IUPAC3-amino-1-(5-methoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
SMILESCOc1cnc(N2CCC(N)(C(=O)O)C2)nc1
InChIInChI=1S/C10H14N4O3/c1-17-7-4-12-9(13-5-7)14-3-2-10(11,6-14)8(15)16/h4-5H,2-3,6,11H2,1H3,(H,15,16)
InChIKeyWSGXHEAEJJTMPA-UHFFFAOYSA-N
MW238.25 g/mol
LogP-0.52
Rot. Bonds3

About 3-amino-1-(5-methoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid

3-amino-1-(5-methoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid (PubChem CID 107325277) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 3-amino-1-(5-methoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(5-methoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
PubChem CID107325277
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name3-amino-1-(5-methoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
SMILESCOc1cnc(N2CCC(N)(C(=O)O)C2)nc1
InChIInChI=1S/C10H14N4O3/c1-17-7-4-12-9(13-5-7)14-3-2-10(11,6-14)8(15)16/h4-5H,2-3,6,11H2,1H3,(H,15,16)
InChIKeyWSGXHEAEJJTMPA-UHFFFAOYSA-N
XLogP-0.52
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-methoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(5-methoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid (CID 107325277) is 3-amino-1-(5-methoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(5-methoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(5-methoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid is COc1cnc(N2CCC(N)(C(=O)O)C2)nc1.
What is the InChIKey of 3-amino-1-(5-methoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is WSGXHEAEJJTMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-17-7-4-12-9(13-5-7)14-3-2-10(11,6-14)8(15)16/h4-5H,2-3,6,11H2,1H3,(H,15,16).
What are the key properties of 3-amino-1-(5-methoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid?
3-amino-1-(5-methoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 238.25 g/mol, XLogP of -0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-methoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107325277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).