2-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-3-yl]acetic acid

C13H19N3O2 — CID 66141891

IUPAC2-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-3-yl]acetic acid
SMILESO=C(O)CC1CCN(Cc2cncn2C2CC2)C1
InChIInChI=1S/C13H19N3O2/c17-13(18)5-10-3-4-15(7-10)8-12-6-14-9-16(12)11-1-2-11/h6,9-11H,1-5,7-8H2,(H,17,18)
InChIKeyGGAKRBDWIFFWND-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.51
Rot. Bonds5

About 2-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-3-yl]acetic acid

2-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-3-yl]acetic acid (PubChem CID 66141891) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-3-yl]acetic acid
PubChem CID66141891
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-3-yl]acetic acid
SMILESO=C(O)CC1CCN(Cc2cncn2C2CC2)C1
InChIInChI=1S/C13H19N3O2/c17-13(18)5-10-3-4-15(7-10)8-12-6-14-9-16(12)11-1-2-11/h6,9-11H,1-5,7-8H2,(H,17,18)
InChIKeyGGAKRBDWIFFWND-UHFFFAOYSA-N
XLogP1.51
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 66140474
(3S)-1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-3-amine
CID 115302453
2-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]oxyethanol
CID 82691745
1-cyclopropyl-5-[(3-pyrazol-1-ylazetidin-1-yl)methyl]imidazole
CID 126900325
2-[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]acetic acid
CID 102877523
1-[(3-cyclopropylimidazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 66142293
2-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]acetic acid
CID 107044977
2-[1-(isoquinolin-4-ylmethyl)pyrrolidin-3-yl]acetic acid
CID 104505277
1-[(3-cyclopropylimidazol-4-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351450
1-[(3-cyclopropylimidazol-4-yl)methyl]azepane-2-carboxylic acid
CID 66141272
1-[1-[(3-cyclopropylimidazol-4-yl)methyl]azepan-2-yl]propan-2-one
CID 79559770
2-[1-[(2,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]acetic acid
CID 114058142

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-3-yl]acetic acid (CID 66141891) is 2-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-3-yl]acetic acid is O=C(O)CC1CCN(Cc2cncn2C2CC2)C1.
What is the InChIKey of 2-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-3-yl]acetic acid?
The InChIKey is GGAKRBDWIFFWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-13(18)5-10-3-4-15(7-10)8-12-6-14-9-16(12)11-1-2-11/h6,9-11H,1-5,7-8H2,(H,17,18).
What are the key properties of 2-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-3-yl]acetic acid?
2-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-3-yl]acetic acid has a molecular weight of 249.31 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 66141891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).