1-(3-aminopropyl)imidazole-2-carboxylic acid

C7H11N3O2 — CID 150731188

IUPAC1-(3-aminopropyl)imidazole-2-carboxylic acid
SMILESNCCCn1ccnc1C(=O)O
InChIInChI=1S/C7H11N3O2/c8-2-1-4-10-5-3-9-6(10)7(11)12/h3,5H,1-2,4,8H2,(H,11,12)
InChIKeyJRWOBQQULGSTKG-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.07
Rot. Bonds4

About 1-(3-aminopropyl)imidazole-2-carboxylic acid

1-(3-aminopropyl)imidazole-2-carboxylic acid (PubChem CID 150731188) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 1-(3-aminopropyl)imidazole-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-aminopropyl)imidazole-2-carboxylic acid
PubChem CID150731188
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name1-(3-aminopropyl)imidazole-2-carboxylic acid
SMILESNCCCn1ccnc1C(=O)O
InChIInChI=1S/C7H11N3O2/c8-2-1-4-10-5-3-9-6(10)7(11)12/h3,5H,1-2,4,8H2,(H,11,12)
InChIKeyJRWOBQQULGSTKG-UHFFFAOYSA-N
XLogP-0.07
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)imidazole-2-carboxylic acid?
The IUPAC name of 1-(3-aminopropyl)imidazole-2-carboxylic acid (CID 150731188) is 1-(3-aminopropyl)imidazole-2-carboxylic acid.
What is the SMILES notation for 1-(3-aminopropyl)imidazole-2-carboxylic acid?
The canonical SMILES for 1-(3-aminopropyl)imidazole-2-carboxylic acid is NCCCn1ccnc1C(=O)O.
What is the InChIKey of 1-(3-aminopropyl)imidazole-2-carboxylic acid?
The InChIKey is JRWOBQQULGSTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c8-2-1-4-10-5-3-9-6(10)7(11)12/h3,5H,1-2,4,8H2,(H,11,12).
What are the key properties of 1-(3-aminopropyl)imidazole-2-carboxylic acid?
1-(3-aminopropyl)imidazole-2-carboxylic acid has a molecular weight of 169.18 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)imidazole-2-carboxylic acid is sourced from PubChem (CID 150731188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).