3-[(3-cyclopropylimidazol-4-yl)methylamino]bicyclo[2.2.1]heptane-2-carboxylic acid

C15H21N3O2 — CID 66141271

IUPAC3-[(3-cyclopropylimidazol-4-yl)methylamino]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1C2CCC(C2)C1NCc1cncn1C1CC1
InChIInChI=1S/C15H21N3O2/c19-15(20)13-9-1-2-10(5-9)14(13)17-7-12-6-16-8-18(12)11-3-4-11/h6,8-11,13-14,17H,1-5,7H2,(H,19,20)
InChIKeyPTZDSSKBEVWRGC-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.81
Rot. Bonds5

About 3-[(3-cyclopropylimidazol-4-yl)methylamino]bicyclo[2.2.1]heptane-2-carboxylic acid

3-[(3-cyclopropylimidazol-4-yl)methylamino]bicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 66141271) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-[(3-cyclopropylimidazol-4-yl)methylamino]bicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3-cyclopropylimidazol-4-yl)methylamino]bicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID66141271
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-[(3-cyclopropylimidazol-4-yl)methylamino]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1C2CCC(C2)C1NCc1cncn1C1CC1
InChIInChI=1S/C15H21N3O2/c19-15(20)13-9-1-2-10(5-9)14(13)17-7-12-6-16-8-18(12)11-3-4-11/h6,8-11,13-14,17H,1-5,7H2,(H,19,20)
InChIKeyPTZDSSKBEVWRGC-UHFFFAOYSA-N
XLogP1.81
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopropylimidazol-4-yl)methylamino]bicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 3-[(3-cyclopropylimidazol-4-yl)methylamino]bicyclo[2.2.1]heptane-2-carboxylic acid (CID 66141271) is 3-[(3-cyclopropylimidazol-4-yl)methylamino]bicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 3-[(3-cyclopropylimidazol-4-yl)methylamino]bicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 3-[(3-cyclopropylimidazol-4-yl)methylamino]bicyclo[2.2.1]heptane-2-carboxylic acid is O=C(O)C1C2CCC(C2)C1NCc1cncn1C1CC1.
What is the InChIKey of 3-[(3-cyclopropylimidazol-4-yl)methylamino]bicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is PTZDSSKBEVWRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c19-15(20)13-9-1-2-10(5-9)14(13)17-7-12-6-16-8-18(12)11-3-4-11/h6,8-11,13-14,17H,1-5,7H2,(H,19,20).
What are the key properties of 3-[(3-cyclopropylimidazol-4-yl)methylamino]bicyclo[2.2.1]heptane-2-carboxylic acid?
3-[(3-cyclopropylimidazol-4-yl)methylamino]bicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopropylimidazol-4-yl)methylamino]bicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 66141271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).