methyl 4-(3-ethylimidazol-4-yl)pyrrolidine-3-carboxylate

C11H17N3O2 — CID 114486465

IUPACmethyl 4-(3-ethylimidazol-4-yl)pyrrolidine-3-carboxylate
SMILESCCn1cncc1C1CNCC1C(=O)OC
InChIInChI=1S/C11H17N3O2/c1-3-14-7-13-6-10(14)8-4-12-5-9(8)11(15)16-2/h6-9,12H,3-5H2,1-2H3
InChIKeyDKTXVAMLOMJJND-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.38
Rot. Bonds3

About methyl 4-(3-ethylimidazol-4-yl)pyrrolidine-3-carboxylate

methyl 4-(3-ethylimidazol-4-yl)pyrrolidine-3-carboxylate (PubChem CID 114486465) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is methyl 4-(3-ethylimidazol-4-yl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-ethylimidazol-4-yl)pyrrolidine-3-carboxylate
PubChem CID114486465
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Namemethyl 4-(3-ethylimidazol-4-yl)pyrrolidine-3-carboxylate
SMILESCCn1cncc1C1CNCC1C(=O)OC
InChIInChI=1S/C11H17N3O2/c1-3-14-7-13-6-10(14)8-4-12-5-9(8)11(15)16-2/h6-9,12H,3-5H2,1-2H3
InChIKeyDKTXVAMLOMJJND-UHFFFAOYSA-N
XLogP0.38
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(3-methylimidazol-4-yl)pyrrolidine-3-carboxylate
CID 114486601
ethyl 4-(3-propan-2-ylimidazol-4-yl)pyrrolidine-3-carboxylate
CID 114486818
(3R,4S)-4-(3-methylimidazol-4-yl)pyrrolidine-3-carboxylic acid
CID 124510743
trans-methyl (1S,2S)-2-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]cyclopropane-1-carboxylate
CID 139468851
methyl (3R,4R)-4-(4-ethylphenyl)pyrrolidine-3-carboxylate
CID 129369498
methyl (3R,4R)-4-(furan-2-yl)pyrrolidine-3-carboxylate
CID 129413863
methyl (3S,4S)-4-(5-chloro-2-pyridinyl)pyrrolidine-3-carboxylate
CID 57436785
methyl 4-(5-methylthiophen-2-yl)pyrrolidine-3-carboxylate
CID 121199335
methyl (3R,4S)-4-(5-methylfuran-2-yl)pyrrolidine-3-carboxylate
CID 129413869
methyl (3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylate;hydrochloride
CID 119056927
methyl (3R,4S)-4-(3,4-dichlorophenyl)pyrrolidine-3-carboxylate;hydrochloride
CID 67232915
3-O-ethyl 4-O-methyl pyrrolidine-3,4-dicarboxylate
CID 141137561

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-ethylimidazol-4-yl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 4-(3-ethylimidazol-4-yl)pyrrolidine-3-carboxylate (CID 114486465) is methyl 4-(3-ethylimidazol-4-yl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 4-(3-ethylimidazol-4-yl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 4-(3-ethylimidazol-4-yl)pyrrolidine-3-carboxylate is CCn1cncc1C1CNCC1C(=O)OC.
What is the InChIKey of methyl 4-(3-ethylimidazol-4-yl)pyrrolidine-3-carboxylate?
The InChIKey is DKTXVAMLOMJJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-14-7-13-6-10(14)8-4-12-5-9(8)11(15)16-2/h6-9,12H,3-5H2,1-2H3.
What are the key properties of methyl 4-(3-ethylimidazol-4-yl)pyrrolidine-3-carboxylate?
methyl 4-(3-ethylimidazol-4-yl)pyrrolidine-3-carboxylate has a molecular weight of 223.28 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-ethylimidazol-4-yl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 114486465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).