1-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxylic acid

C10H15N3O2 — CID 43441709

IUPAC1-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESCn1ccnc1CN1CCCC1C(=O)O
InChIInChI=1S/C10H15N3O2/c1-12-6-4-11-9(12)7-13-5-2-3-8(13)10(14)15/h4,6,8H,2-3,5,7H2,1H3,(H,14,15)
InChIKeyPRNWZPXDMKGRCX-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.47
Rot. Bonds3

About 1-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxylic acid

1-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 43441709) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID43441709
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESCn1ccnc1CN1CCCC1C(=O)O
InChIInChI=1S/C10H15N3O2/c1-12-6-4-11-9(12)7-13-5-2-3-8(13)10(14)15/h4,6,8H,2-3,5,7H2,1H3,(H,14,15)
InChIKeyPRNWZPXDMKGRCX-UHFFFAOYSA-N
XLogP0.47
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 45259324
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5-(1H-imidazol-1-yl)pentanoic acid
CID 12803313
1-Cyclopentylimidazole-2-carboxylic acid
CID 83875412
2-(1H-imidazol-1-yl)butanoic acid
CID 19961525
1-(Pyrazin-2-yl)pyrrolidine-2-carboxylic acid
CID 16794777
5H,6H,7H-pyrrolo[1,2-a]imidazole-5-carboxylic acid hydrochloride
CID 165672600
5-(2-ethyl-1H-imidazol-1-yl)-5-oxopentanoic acid
CID 6620569
1-Ethyl-3-methyl-1H-imidazol-3-ium L-prolinate
CID 25053223
2-(2-Butyl-1h-imidazole-1-yl)acetic acid
CID 55254995
2-Amino-5-(2-amino-1H-imidazol-1-yl)pentanoic acid
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1-Carboxypropyl-3-methyl imidazolium bromide
CID 129831047

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxylic acid (CID 43441709) is 1-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxylic acid is Cn1ccnc1CN1CCCC1C(=O)O.
What is the InChIKey of 1-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is PRNWZPXDMKGRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-12-6-4-11-9(12)7-13-5-2-3-8(13)10(14)15/h4,6,8H,2-3,5,7H2,1H3,(H,14,15).
What are the key properties of 1-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxylic acid?
1-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 209.25 g/mol, XLogP of 0.47, 3 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)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43441709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).