1-(4-ethoxypyrimidin-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid

C14H21N3O3 — CID 106983041

IUPAC1-(4-ethoxypyrimidin-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCCOc1ccnc(N2CCC(C(=O)O)(C(C)C)C2)n1
InChIInChI=1S/C14H21N3O3/c1-4-20-11-5-7-15-13(16-11)17-8-6-14(9-17,10(2)3)12(18)19/h5,7,10H,4,6,8-9H2,1-3H3,(H,18,19)
InChIKeyTYVPWHKJAIGICU-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.81
Rot. Bonds5

About 1-(4-ethoxypyrimidin-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid

1-(4-ethoxypyrimidin-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 106983041) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(4-ethoxypyrimidin-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-ethoxypyrimidin-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID106983041
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-(4-ethoxypyrimidin-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCCOc1ccnc(N2CCC(C(=O)O)(C(C)C)C2)n1
InChIInChI=1S/C14H21N3O3/c1-4-20-11-5-7-15-13(16-11)17-8-6-14(9-17,10(2)3)12(18)19/h5,7,10H,4,6,8-9H2,1-3H3,(H,18,19)
InChIKeyTYVPWHKJAIGICU-UHFFFAOYSA-N
XLogP1.81
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-(4-ethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 107325451
1-(2-methoxycarbonylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983174
3-amino-1-(4-propan-2-yloxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 107325349
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
1-(4-ethoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid
CID 112635932
3-propan-2-yl-1-quinoxalin-2-ylpyrrolidine-3-carboxylic acid
CID 106983124
1-(5-nitropyrimidin-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983125
1-(4-methoxypyrimidin-2-yl)-3-propylpiperidine-3-carboxylic acid
CID 63136313
1-(6-ethyl-2-methylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983097
3-[[4-(4-ethoxypyrimidin-2-yl)piperazine-1-carbonyl]amino]propanoic acid
CID 122017762

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxypyrimidin-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-ethoxypyrimidin-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid (CID 106983041) is 1-(4-ethoxypyrimidin-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-ethoxypyrimidin-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-ethoxypyrimidin-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid is CCOc1ccnc(N2CCC(C(=O)O)(C(C)C)C2)n1.
What is the InChIKey of 1-(4-ethoxypyrimidin-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is TYVPWHKJAIGICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-20-11-5-7-15-13(16-11)17-8-6-14(9-17,10(2)3)12(18)19/h5,7,10H,4,6,8-9H2,1-3H3,(H,18,19).
What are the key properties of 1-(4-ethoxypyrimidin-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
1-(4-ethoxypyrimidin-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxypyrimidin-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106983041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).