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

C10H15N3O2 — CID 114486601

IUPACmethyl 4-(3-methylimidazol-4-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CNCC1c1cncn1C
InChIInChI=1S/C10H15N3O2/c1-13-6-12-5-9(13)7-3-11-4-8(7)10(14)15-2/h5-8,11H,3-4H2,1-2H3
InChIKeyNEFVEAQPFVEACB-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.10
Rot. Bonds2

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

methyl 4-(3-methylimidazol-4-yl)pyrrolidine-3-carboxylate (PubChem CID 114486601) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is methyl 4-(3-methylimidazol-4-yl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-methylimidazol-4-yl)pyrrolidine-3-carboxylate
PubChem CID114486601
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Namemethyl 4-(3-methylimidazol-4-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CNCC1c1cncn1C
InChIInChI=1S/C10H15N3O2/c1-13-6-12-5-9(13)7-3-11-4-8(7)10(14)15-2/h5-8,11H,3-4H2,1-2H3
InChIKeyNEFVEAQPFVEACB-UHFFFAOYSA-N
XLogP-0.10
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(3-ethylimidazol-4-yl)pyrrolidine-3-carboxylate
CID 114486465
(3R,4S)-4-(3-methylimidazol-4-yl)pyrrolidine-3-carboxylic acid
CID 124510743
ethyl 4-(3-propan-2-ylimidazol-4-yl)pyrrolidine-3-carboxylate
CID 114486818
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
2-(3-methylimidazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride
CID 122236347
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-ethyl-N-[[(3S,4S)-4-(3-methylimidazol-4-yl)pyrrolidin-3-yl]methyl]pyridine-2-carboxamide
CID 138016137
methyl (3S,4S)-4-(2-chloro-4-methylphenyl)pyrrolidine-3-carboxylate
CID 129494072

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-methylimidazol-4-yl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 4-(3-methylimidazol-4-yl)pyrrolidine-3-carboxylate (CID 114486601) is methyl 4-(3-methylimidazol-4-yl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 4-(3-methylimidazol-4-yl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 4-(3-methylimidazol-4-yl)pyrrolidine-3-carboxylate is COC(=O)C1CNCC1c1cncn1C.
What is the InChIKey of methyl 4-(3-methylimidazol-4-yl)pyrrolidine-3-carboxylate?
The InChIKey is NEFVEAQPFVEACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-13-6-12-5-9(13)7-3-11-4-8(7)10(14)15-2/h5-8,11H,3-4H2,1-2H3.
What are the key properties of methyl 4-(3-methylimidazol-4-yl)pyrrolidine-3-carboxylate?
methyl 4-(3-methylimidazol-4-yl)pyrrolidine-3-carboxylate has a molecular weight of 209.25 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-methylimidazol-4-yl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 114486601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).