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

C11H15N3O3 — CID 112635932

IUPAC1-(4-ethoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid
SMILESCCOc1ccnc(N2CCCC2C(=O)O)n1
InChIInChI=1S/C11H15N3O3/c1-2-17-9-5-6-12-11(13-9)14-7-3-4-8(14)10(15)16/h5-6,8H,2-4,7H2,1H3,(H,15,16)
InChIKeyVCLPXTKKMBTWPE-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.93
Rot. Bonds4

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

1-(4-ethoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid (PubChem CID 112635932) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-(4-ethoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-ethoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid
PubChem CID112635932
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name1-(4-ethoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid
SMILESCCOc1ccnc(N2CCCC2C(=O)O)n1
InChIInChI=1S/C11H15N3O3/c1-2-17-9-5-6-12-11(13-9)14-7-3-4-8(14)10(15)16/h5-6,8H,2-4,7H2,1H3,(H,15,16)
InChIKeyVCLPXTKKMBTWPE-UHFFFAOYSA-N
XLogP0.93
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid
CID 93274420
ethyl 1-(4-propoxypyrimidin-2-yl)pyrrolidine-2-carboxylate
CID 115975575
N,N-diethyl-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxamide
CID 133290040
1-[1-(4-ethoxypyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine
CID 112638856
4-ethoxy-2-pyrrolidin-1-ylpyrimidine
CID 59525896
[1-(4-ethoxypyrimidin-2-yl)piperidin-2-yl]methanamine
CID 112638544
N-[[1-(4-ethoxypyrimidin-2-yl)pyrrolidin-2-yl]methyl]cyclopropanamine
CID 112639097
1-(4-propoxypyrimidin-2-yl)piperazine-2-carboxylic acid
CID 112638719
1-(4-ethoxypyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide
CID 115975420
(2S)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586857
(2R)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586856
4-ethyl-1-(4-propan-2-yloxypyrimidin-2-yl)piperidine-2-carboxylic acid
CID 114427636

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(4-ethoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid (CID 112635932) is 1-(4-ethoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-ethoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(4-ethoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid is CCOc1ccnc(N2CCCC2C(=O)O)n1.
What is the InChIKey of 1-(4-ethoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is VCLPXTKKMBTWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-2-17-9-5-6-12-11(13-9)14-7-3-4-8(14)10(15)16/h5-6,8H,2-4,7H2,1H3,(H,15,16).
What are the key properties of 1-(4-ethoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid?
1-(4-ethoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.93, 4 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)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 112635932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).