1-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxylic acid

C11H17N3O2 — CID 61493051

IUPAC1-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1CCCn1ccnc1
InChIInChI=1S/C11H17N3O2/c15-11(16)10-3-1-6-14(10)7-2-5-13-8-4-12-9-13/h4,8-10H,1-3,5-7H2,(H,15,16)
InChIKeyISBHIELGQCMDSD-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.82
Rot. Bonds5

About 1-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxylic acid

1-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxylic acid (PubChem CID 61493051) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxylic acid
PubChem CID61493051
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1CCCn1ccnc1
InChIInChI=1S/C11H17N3O2/c15-11(16)10-3-1-6-14(10)7-2-5-13-8-4-12-9-13/h4,8-10H,1-3,5-7H2,(H,15,16)
InChIKeyISBHIELGQCMDSD-UHFFFAOYSA-N
XLogP0.82
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]acetic acid
CID 54960885
(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]pentyl]pyrrolidine-2-carboxylic acid
CID 138991676
1-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-2-carboxylic acid
CID 62873840
1-[1-(3-imidazol-1-ylpropyl)azepan-2-yl]propan-2-one
CID 79559937
methyl 1-(2-imidazol-1-ylethyl)piperidine-2-carboxylate
CID 115536883
[1-(3-imidazol-1-ylpropyl)piperidin-2-yl]methanamine
CID 61493086
(2S)-1-(2-sulfanylethyl)pyrrolidine-2-carboxylic acid
CID 45116092
1-(2-pyrazol-1-ylethyl)pyrrolidine-2-carboxylic acid
CID 61494666
1-nonylpyrrolidine-2-carboxylic acid
CID 43441741
1-pentylpyrrolidine-2-carboxylic acid;sulfane
CID 174808239
N-[[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]methyl]ethanamine
CID 62579810
CID 172742310
CID 172742310

Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxylic acid (CID 61493051) is 1-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1CCCn1ccnc1.
What is the InChIKey of 1-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxylic acid?
The InChIKey is ISBHIELGQCMDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c15-11(16)10-3-1-6-14(10)7-2-5-13-8-4-12-9-13/h4,8-10H,1-3,5-7H2,(H,15,16).
What are the key properties of 1-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxylic acid?
1-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61493051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).