2-[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]acetic acid

C12H19N3O2 — CID 54960885

IUPAC2-[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1CCCn1ccnc1
InChIInChI=1S/C12H19N3O2/c16-12(17)9-11-3-1-6-15(11)7-2-5-14-8-4-13-10-14/h4,8,10-11H,1-3,5-7,9H2,(H,16,17)
InChIKeyOIKYMATZOHEKOI-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.21
Rot. Bonds6

About 2-[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]acetic acid

2-[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]acetic acid (PubChem CID 54960885) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]acetic acid
PubChem CID54960885
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1CCCn1ccnc1
InChIInChI=1S/C12H19N3O2/c16-12(17)9-11-3-1-6-15(11)7-2-5-14-8-4-13-10-14/h4,8,10-11H,1-3,5-7,9H2,(H,16,17)
InChIKeyOIKYMATZOHEKOI-UHFFFAOYSA-N
XLogP1.21
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3-imidazol-1-ylpropyl)azepan-2-yl]propan-2-one
CID 79559937
1-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxylic acid
CID 61493051
N-[[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]methyl]ethanamine
CID 62579810
[1-(3-imidazol-1-ylpropyl)piperidin-2-yl]methanamine
CID 61493086
2-[1-(3-fluoropropyl)piperidin-2-yl]acetic acid
CID 81113634
2-[1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]acetic acid
CID 54960865
2-[1-[4-(diethylamino)-4-oxobutyl]pyrrolidin-2-yl]acetic acid
CID 61371702
3-imidazol-1-yl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 81484917
N-(3-imidazol-1-ylpropyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 61494653
5-imidazol-1-yl-2-oxopentanoic acid
CID 174329319
1-[[(2R)-1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]imidazole
CID 99825714
tert-butyl 2-[(4-imidazol-1-ylbutylamino)methyl]pyrrolidine-1-carboxylate
CID 106638257

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]acetic acid (CID 54960885) is 2-[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]acetic acid is O=C(O)CC1CCCN1CCCn1ccnc1.
What is the InChIKey of 2-[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]acetic acid?
The InChIKey is OIKYMATZOHEKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c16-12(17)9-11-3-1-6-15(11)7-2-5-14-8-4-13-10-14/h4,8,10-11H,1-3,5-7,9H2,(H,16,17).
What are the key properties of 2-[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]acetic acid?
2-[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]acetic acid has a molecular weight of 237.30 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 54960885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).