3-amino-1-(4-ethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid

C11H16N4O3 — CID 107325451

IUPAC3-amino-1-(4-ethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
SMILESCCOc1ccnc(N2CCC(N)(C(=O)O)C2)n1
InChIInChI=1S/C11H16N4O3/c1-2-18-8-3-5-13-10(14-8)15-6-4-11(12,7-15)9(16)17/h3,5H,2,4,6-7,12H2,1H3,(H,16,17)
InChIKeyNKTVJXXECYTUMF-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.13
Rot. Bonds4

About 3-amino-1-(4-ethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid

3-amino-1-(4-ethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid (PubChem CID 107325451) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-amino-1-(4-ethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(4-ethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
PubChem CID107325451
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name3-amino-1-(4-ethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
SMILESCCOc1ccnc(N2CCC(N)(C(=O)O)C2)n1
InChIInChI=1S/C11H16N4O3/c1-2-18-8-3-5-13-10(14-8)15-6-4-11(12,7-15)9(16)17/h3,5H,2,4,6-7,12H2,1H3,(H,16,17)
InChIKeyNKTVJXXECYTUMF-UHFFFAOYSA-N
XLogP-0.13
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-1-(4-propan-2-yloxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 107325349
3-amino-1-(4-ethoxy-6-methylpyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 107325390
1-(4-ethoxypyrimidin-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983041
2-[1-(4-ethoxypyrimidin-2-yl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102657929
1-(4-methoxypyrimidin-2-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 55166350
4-ethoxy-2-pyrrolidin-1-ylpyrimidine
CID 59525896
3-amino-1-(6-ethoxy-5-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 107325218
3-amino-1-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxylic acid
CID 107325393
1-(4-ethoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid
CID 112635932
1-(4-methoxypyrimidin-2-yl)-3-propylpiperidine-3-carboxylic acid
CID 63136313
4-(4-ethoxypyrimidin-2-yl)piperazine-2-carboxamide
CID 146105812
3-amino-1-(6-methoxy-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 107325371

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-ethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(4-ethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid (CID 107325451) is 3-amino-1-(4-ethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(4-ethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(4-ethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid is CCOc1ccnc(N2CCC(N)(C(=O)O)C2)n1.
What is the InChIKey of 3-amino-1-(4-ethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is NKTVJXXECYTUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-2-18-8-3-5-13-10(14-8)15-6-4-11(12,7-15)9(16)17/h3,5H,2,4,6-7,12H2,1H3,(H,16,17).
What are the key properties of 3-amino-1-(4-ethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid?
3-amino-1-(4-ethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-ethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107325451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).