1-(1-methylimidazol-2-yl)pyrrolidine-3-carboxylic acid;hydrochloride

C9H14ClN3O2 — CID 134690985

IUPAC1-(1-methylimidazol-2-yl)pyrrolidine-3-carboxylic acid;hydrochloride
SMILESCl.Cn1ccnc1N1CCC(C(=O)O)C1
InChIInChI=1S/C9H13N3O2.ClH/c1-11-5-3-10-9(11)12-4-2-7(6-12)8(13)14;/h3,5,7H,2,4,6H2,1H3,(H,13,14);1H
InChIKeyJZZGCUFXRPZBER-UHFFFAOYSA-N
MW231.68 g/mol
LogP0.75
Rot. Bonds2

About 1-(1-methylimidazol-2-yl)pyrrolidine-3-carboxylic acid;hydrochloride

1-(1-methylimidazol-2-yl)pyrrolidine-3-carboxylic acid;hydrochloride (PubChem CID 134690985) has the molecular formula C9H14ClN3O2 and a molecular weight of 231.68 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)pyrrolidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)pyrrolidine-3-carboxylic acid;hydrochloride
PubChem CID134690985
Molecular FormulaC9H14ClN3O2
Molecular Weight231.68 g/mol
Exact Mass231.08
IUPAC Name1-(1-methylimidazol-2-yl)pyrrolidine-3-carboxylic acid;hydrochloride
SMILESCl.Cn1ccnc1N1CCC(C(=O)O)C1
InChIInChI=1S/C9H13N3O2.ClH/c1-11-5-3-10-9(11)12-4-2-7(6-12)8(13)14;/h3,5,7H,2,4,6H2,1H3,(H,13,14);1H
InChIKeyJZZGCUFXRPZBER-UHFFFAOYSA-N
XLogP0.75
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(1-methyl-1H-imidazol-2-yl)propanoic acid
CID 44177199
4-(1H-imidazol-1-yl)butanoic acid hydrochloride
CID 46736414
3-(2-methyl-1H-imidazol-1-yl)propanoic acid hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)pyrrolidine-3-carboxylic acid;hydrochloride?
The IUPAC name of 1-(1-methylimidazol-2-yl)pyrrolidine-3-carboxylic acid;hydrochloride (CID 134690985) is 1-(1-methylimidazol-2-yl)pyrrolidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)pyrrolidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 1-(1-methylimidazol-2-yl)pyrrolidine-3-carboxylic acid;hydrochloride is Cl.Cn1ccnc1N1CCC(C(=O)O)C1.
What is the InChIKey of 1-(1-methylimidazol-2-yl)pyrrolidine-3-carboxylic acid;hydrochloride?
The InChIKey is JZZGCUFXRPZBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2.ClH/c1-11-5-3-10-9(11)12-4-2-7(6-12)8(13)14;/h3,5,7H,2,4,6H2,1H3,(H,13,14);1H.
What are the key properties of 1-(1-methylimidazol-2-yl)pyrrolidine-3-carboxylic acid;hydrochloride?
1-(1-methylimidazol-2-yl)pyrrolidine-3-carboxylic acid;hydrochloride has a molecular weight of 231.68 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-2-yl)pyrrolidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 134690985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).