4-cyclopropyl-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxylic acid

C15H23N3O3 — CID 156603463

IUPAC4-cyclopropyl-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxylic acid
SMILESCOCCn1ccnc1CN1CC(C(=O)O)C(C2CC2)C1
InChIInChI=1S/C15H23N3O3/c1-21-7-6-18-5-4-16-14(18)10-17-8-12(11-2-3-11)13(9-17)15(19)20/h4-5,11-13H,2-3,6-10H2,1H3,(H,19,20)
InChIKeyOMRNMPQWEXSKRR-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.07
Rot. Bonds7

About 4-cyclopropyl-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxylic acid

4-cyclopropyl-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxylic acid (PubChem CID 156603463) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-cyclopropyl-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxylic acid
PubChem CID156603463
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name4-cyclopropyl-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxylic acid
SMILESCOCCn1ccnc1CN1CC(C(=O)O)C(C2CC2)C1
InChIInChI=1S/C15H23N3O3/c1-21-7-6-18-5-4-16-14(18)10-17-8-12(11-2-3-11)13(9-17)15(19)20/h4-5,11-13H,2-3,6-10H2,1H3,(H,19,20)
InChIKeyOMRNMPQWEXSKRR-UHFFFAOYSA-N
XLogP1.07
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3aR,6aR)-5-cyclopentyl-2-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 72879394
1-(2-methoxyethyl)-2-[(3-phenoxypyrrolidin-1-yl)methyl]imidazole
CID 131920287
(1R,5S)-8-methoxy-3-[(1-propylimidazol-2-yl)methyl]-3-azabicyclo[3.2.1]octane
CID 77098146
(3R,4S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine
CID 72912402
(3S,4S)-4-cyclopentyl-1-[(5-methoxycarbonyl-1-methylpyrrol-2-yl)methyl]pyrrolidine-3-carboxylic acid
CID 138012761
2-[[(3S)-3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1-(2-methoxyethyl)imidazole
CID 99929250
(3S,4S)-4-cyclopropyl-1-[(4,6-dimethylpyrimidin-2-yl)methyl]pyrrolidine-3-carboxylic acid
CID 86283495
(3S,4S)-4-(4-fluorophenyl)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-ol
CID 50959319
1-benzyl-4-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-4-yl]piperazine
CID 131902682
4-[4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1,4-diazepane-1-carbonyl]-1-methylpyrrolidin-2-one
CID 134705172
(3S,4S)-4-cyclopropyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 72861162
(5S)-9-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 99932500

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-cyclopropyl-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxylic acid (CID 156603463) is 4-cyclopropyl-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxylic acid is COCCn1ccnc1CN1CC(C(=O)O)C(C2CC2)C1.
What is the InChIKey of 4-cyclopropyl-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is OMRNMPQWEXSKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-21-7-6-18-5-4-16-14(18)10-17-8-12(11-2-3-11)13(9-17)15(19)20/h4-5,11-13H,2-3,6-10H2,1H3,(H,19,20).
What are the key properties of 4-cyclopropyl-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxylic acid?
4-cyclopropyl-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 1.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 156603463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).