2-(3-cyclopropylimidazol-4-yl)-2-pyrrolidin-1-ylacetic acid

C12H17N3O2 — CID 66141668

IUPAC2-(3-cyclopropylimidazol-4-yl)-2-pyrrolidin-1-ylacetic acid
SMILESO=C(O)C(c1cncn1C1CC1)N1CCCC1
InChIInChI=1S/C12H17N3O2/c16-12(17)11(14-5-1-2-6-14)10-7-13-8-15(10)9-3-4-9/h7-9,11H,1-6H2,(H,16,17)
InChIKeyNWQYYILDMZOSIU-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.44
Rot. Bonds4

About 2-(3-cyclopropylimidazol-4-yl)-2-pyrrolidin-1-ylacetic acid

2-(3-cyclopropylimidazol-4-yl)-2-pyrrolidin-1-ylacetic acid (PubChem CID 66141668) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(3-cyclopropylimidazol-4-yl)-2-pyrrolidin-1-ylacetic acid.

Molecular Properties

Compound Name2-(3-cyclopropylimidazol-4-yl)-2-pyrrolidin-1-ylacetic acid
PubChem CID66141668
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-(3-cyclopropylimidazol-4-yl)-2-pyrrolidin-1-ylacetic acid
SMILESO=C(O)C(c1cncn1C1CC1)N1CCCC1
InChIInChI=1S/C12H17N3O2/c16-12(17)11(14-5-1-2-6-14)10-7-13-8-15(10)9-3-4-9/h7-9,11H,1-6H2,(H,16,17)
InChIKeyNWQYYILDMZOSIU-UHFFFAOYSA-N
XLogP1.44
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-cyclopropylimidazol-4-yl)-2-morpholin-4-ylacetic acid
CID 66141667
2-(3-cyclopentylimidazol-4-yl)propanoic acid
CID 83883850
2-(3-cyclopropylimidazol-4-yl)-2-(methylamino)acetic acid
CID 66140041
3-(3-cyclopropylimidazol-4-yl)-3-hydroxypropanoic acid
CID 66142482
3-cyclopentylimidazole-4-carboxylic acid
CID 83875408
(3R)-3-amino-3-(3-cyclopropylimidazol-4-yl)propanamide
CID 79026971
methyl 2-(3-cyclopropylimidazol-4-yl)-2-(propan-2-ylamino)acetate
CID 66140237
2-amino-1-(3-cyclobutylimidazol-4-yl)ethanol
CID 83875789
3-(3-cyclopropylimidazol-4-yl)-3-(diethylamino)propanoic acid
CID 66142290
(2R)-2-piperidin-1-yl-2-pyridin-4-ylacetic acid
CID 95359616
3-amino-1-(3-cyclopropylimidazol-4-yl)propan-1-ol
CID 79126295
1-(3-cyclopropylimidazol-4-yl)-3-methylbutan-1-ol
CID 66141454

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropylimidazol-4-yl)-2-pyrrolidin-1-ylacetic acid?
The IUPAC name of 2-(3-cyclopropylimidazol-4-yl)-2-pyrrolidin-1-ylacetic acid (CID 66141668) is 2-(3-cyclopropylimidazol-4-yl)-2-pyrrolidin-1-ylacetic acid.
What is the SMILES notation for 2-(3-cyclopropylimidazol-4-yl)-2-pyrrolidin-1-ylacetic acid?
The canonical SMILES for 2-(3-cyclopropylimidazol-4-yl)-2-pyrrolidin-1-ylacetic acid is O=C(O)C(c1cncn1C1CC1)N1CCCC1.
What is the InChIKey of 2-(3-cyclopropylimidazol-4-yl)-2-pyrrolidin-1-ylacetic acid?
The InChIKey is NWQYYILDMZOSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-12(17)11(14-5-1-2-6-14)10-7-13-8-15(10)9-3-4-9/h7-9,11H,1-6H2,(H,16,17).
What are the key properties of 2-(3-cyclopropylimidazol-4-yl)-2-pyrrolidin-1-ylacetic acid?
2-(3-cyclopropylimidazol-4-yl)-2-pyrrolidin-1-ylacetic acid has a molecular weight of 235.29 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropylimidazol-4-yl)-2-pyrrolidin-1-ylacetic acid is sourced from PubChem (CID 66141668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).