1-[3-(dimethylamino)propyl]imidazole-2-carboxylic acid

C9H15N3O2 — CID 151899019

IUPAC1-[3-(dimethylamino)propyl]imidazole-2-carboxylic acid
SMILESCN(C)CCCn1ccnc1C(=O)O
InChIInChI=1S/C9H15N3O2/c1-11(2)5-3-6-12-7-4-10-8(12)9(13)14/h4,7H,3,5-6H2,1-2H3,(H,13,14)
InChIKeySSJCLLZXHITNSG-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.53
Rot. Bonds5

About 1-[3-(dimethylamino)propyl]imidazole-2-carboxylic acid

1-[3-(dimethylamino)propyl]imidazole-2-carboxylic acid (PubChem CID 151899019) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]imidazole-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]imidazole-2-carboxylic acid
PubChem CID151899019
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name1-[3-(dimethylamino)propyl]imidazole-2-carboxylic acid
SMILESCN(C)CCCn1ccnc1C(=O)O
InChIInChI=1S/C9H15N3O2/c1-11(2)5-3-6-12-7-4-10-8(12)9(13)14/h4,7H,3,5-6H2,1-2H3,(H,13,14)
InChIKeySSJCLLZXHITNSG-UHFFFAOYSA-N
XLogP0.53
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]imidazole-2-carboxylic acid?
The IUPAC name of 1-[3-(dimethylamino)propyl]imidazole-2-carboxylic acid (CID 151899019) is 1-[3-(dimethylamino)propyl]imidazole-2-carboxylic acid.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]imidazole-2-carboxylic acid?
The canonical SMILES for 1-[3-(dimethylamino)propyl]imidazole-2-carboxylic acid is CN(C)CCCn1ccnc1C(=O)O.
What is the InChIKey of 1-[3-(dimethylamino)propyl]imidazole-2-carboxylic acid?
The InChIKey is SSJCLLZXHITNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-11(2)5-3-6-12-7-4-10-8(12)9(13)14/h4,7H,3,5-6H2,1-2H3,(H,13,14).
What are the key properties of 1-[3-(dimethylamino)propyl]imidazole-2-carboxylic acid?
1-[3-(dimethylamino)propyl]imidazole-2-carboxylic acid has a molecular weight of 197.24 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]imidazole-2-carboxylic acid is sourced from PubChem (CID 151899019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).